Research chemical

MY 5445

CAS Number: 78351-75-4

MY 5445 molecular structure, CAS 78351-75-4 — Chemical structure

Product details

Identity & specification

Molecular formula: C20H14ClN3
Molecular weight: 331.8 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

1348

Exact Mass

331.087625

InChIKey

CEHQLKSLMFIHBF-UHFFFAOYSA-N

IUPAC Name

N-(3-chlorophenyl)-4-phenylphthalazin-1-amine

SMILES String

Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1

Physical Properties

No physical property values available.

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XLogP

5.3

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

24

H-bond acceptors

3

H-bond donors

1

Rotatable bonds

3

Ring count

4

Aromatic rings

4

Topological polar surface area

37.81 Å²

Computed LogP

5.69

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

MY 5445 (CAS 78351-75-4) is listed in the Advanced Chemicals portfolio, with molecular formula C20H14ClN3 and molecular weight 331. 80 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.

Applications & Classification

Heterocyclic Building Blocks Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens) — 4 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Microtubule-associated protein tau (Homo sapiens) — 2 assays; Cytochrome P450 2C9 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

cGMP-specific 3',5'-cyclic phosphodiesterase

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 6.3

Experimental evidence source: ChEMBL

Cytochrome P450 2C19

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.1

Experimental evidence source: ChEMBL

Cytochrome P450 2D6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.7

Experimental evidence source: ChEMBL

Microtubule-associated protein tau

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.45

Experimental evidence source: ChEMBL

Cytochrome P450 2C9

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.4

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

Reactivity and stability.

Disposal

Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional agency with a waste disposal license to handle this substance.

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Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting operations.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

1-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl-1-(3-chlorophenylamino)-4-phenylphthalazine(3-chlorophenyl)-(4-phenylphthalazin-1-yl)amine1-(3-Chloroanilino)-4-phenylphthalazineSpecPlus_000807

Show all synonyms

Spectrum2_001820Spectrum3_001763N-(3-chlorophenyl)-4-phenyl-phthalazin-1-amineBSPBio_001360BSPBio_003225KBioGR_000080KBioSS_000080DivK1c_006903SPBio_001839KBio1_001847KBio2_000080KBio2_002648KBio2_005216

External Identifiers

EC NUMBER: 636-069-4DSSTOX SUBSTANCE ID: DTXSID70229009CHEMBL ID: CHEMBL332898CHEBI ID: CHEBI:93577UNII: F8CSS73B6AMETABOLOMICS WORKBENCH ID: 71438WIKIDATA ID: Q15634077Tocris-0432

Literature & Patent References

DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen DOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort DOI 10.1016/j.ejmech.2019.05.026Design and synthesis of 3-aminophthalazine derivatives and structural analogues as PDE5 inhibitors: anti-allodynic effect against neuropathic pain in a mouse model.PMID 31158744Design and synthesis of 3-aminophthalazine derivatives and structural analogues as PDE5 inhibitors: anti-allodynic effect against neuropathic pain in a mouse model.DOI 10.1016/j.bmcl.2016.12.056A triple exon-skipping luciferase reporter assay identifies a new CLK inhibitor pharmacophore.PMID 28049589A triple exon-skipping luciferase reporter assay identifies a new CLK inhibitor pharmacophore.

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H302, H315, H319, H335

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P261, P280, P301+P312, P302+P352, P305+P351+P338

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity1-Hydrazinyl-4-phenylphthalazineView related compound →Structure similarity1-Chloro-4-phenylphthalazineView related compound →

Procurement notes

Sourcing context and documentation notes

Show details

MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 78351-75-4 in stock?

MY 5445 is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 78351-75-4?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.