Research chemical

3,5-Di-tert-butylchalcone 4'-carboxylic acid

CAS Number: 110368-33-7

3,5-Di-tert-butylchalcone 4'-carboxylic acid molecular structure, CAS 110368-33-7 — Chemical structure

Product details

Identity & specification

Molecular formula: C24H28O3
Molecular weight: 364.5 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

6184667

Exact Mass

364.203845

InChIKey

FOUVTBKPJRMLPE-FMIVXFBMSA-N

IUPAC Name

4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid

SMILES String

CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1

Physical Properties

Appearance

Solid

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

27

H-bond acceptors

3

H-bond donors

1

Rotatable bonds

4

Ring count

2

Aromatic rings

2

Topological polar surface area

54.37 Å²

Computed LogP

5.88

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

other structure rule

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

No

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

3,5-Di-tert-butylchalcone 4'-carboxylic acid (CAS 110368-33-7) is maintained as a cataloged research chemical with formula C24H28O3, molecular weight 364. 50 g/mol, PubChem CID 6184667.

Sourcing context

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

Research use context

Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include drug-like rule profile.

Documentation needs

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

Applications & Classification

Package and Price Reference Supplier Catalog Sourcing Commercial Research ChemicalsResearch 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: 3-hydroxyacyl-CoA dehydrogenase type-2 (Homo sapiens) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Mitogen-activated protein kinase 1 (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

3-hydroxyacyl-CoA dehydrogenase type-2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.5

Experimental evidence source: ChEMBL

Nuclear receptor ROR-gamma

Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.15

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.7

Experimental evidence source: ChEMBL

Mitogen-activated protein kinase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.4

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

CH554-(3-(3,5-Di-t-butylphenyl)-3-oxo-1-propenyl)benzoic acidCH 553,5-Di-tert-butylchalcone(E)-4-(3-(3,5-Di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid

Show all synonyms

4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid4-[(1E)-3-[3,5-bis(1,1-Dimethylethyl)phenyl]-3-oxo-1-propenyl]benzoic acid(E)-4-(3-(3,5-Bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)benzoic acidBenzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)-, (E)-3,5-Di-tert-butylchalcone-4'-carboxylic acid(e)-4-[(3,5-di-t-butylphenyl)-3-oxopropenyl]benzoic acid4-(3-(3,5-Di-tert-butylphenyl)-3-oxo-1-propenyl)benzoic acid4-[(E)-3-(3,5-Di-tert-butyl-phenyl)-3-oxo-propenyl]-benzoic acidBenzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)-Benzoic acid, 4-[3-[3,5-bis(1,1-dimethylethyl)phenyl]-3-oxo-1-propen-1-yl]- (

External Identifiers

DSSTOX SUBSTANCE ID: DTXSID101364793CHEMBL ID: CHEMBL285480CHEBI ID: CHEBI:92891Ch-55

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 10.1039/C6MD00012FExpanding the chemical space of hydrophobic pharmacophores: the role of hydrophobic substructures in the development of novel transcription modulators DOI 10.1021/jm00167a024Retinobenzoic acids. 5. Retinoidal activities of compounds having a trimethylsilyl or trimethylgermyl group(s) in human promyelocytic leukemia cells HL-60.PMID 2329565Retinobenzoic acids. 5. Retinoidal activities of compounds having a trimethylsilyl or trimethylgermyl group(s) in human promyelocytic leukemia cells HL-60.DOI 10.1021/jm00124a016Retinobenzoic acids. 2. Structure-activity relationships of chalcone-4-carboxylic acids and flavone-4'-carboxylic acids.

Documentation & Compliance Facts

Compliance Facts

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 similarity(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hept-6-enoic acidView related compound →Structure similarity2-oxo-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)-2H-chromene-3-carboxamideView related compound →Structure similarityBepridil, (R)-View related compound →Structure similarityN-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-norleucineView related compound →Structure similarity(1,1-dioxido-4-phenyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanoneView related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

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Supply documentation

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Quotation review

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

Procurement questions

Is CAS 110368-33-7 in stock?

3,5-Di-tert-butylchalcone 4'-carboxylic acid is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

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Can MolGraph provide COA or SDS for CAS 110368-33-7?

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