Research chemical

N-(benzo[d]thiazol-2-yl)-2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide

CAS Number: 391951-81-8

Product details

Identity & specification

Molecular formula: C27H20ClF3N6O3S2
Molecular weight: 633.1 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

4080622

Exact Mass

632.067893

InChIKey

DUUDMGBCRNFNMJ-UHFFFAOYSA-N

IUPAC Name

N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2-(4-chlorophenoxy)acetamide

SMILES String

O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(C(F)(F)F)c1

Physical Properties

No physical property values available.

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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

111.03 Å²

Computed LogP

5.98

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

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

N-(benzo[d]thiazol-2-yl)-2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 391951-81-8) is maintained as a commercial cas reference with formula C27H20ClF3N6O3S2, molecular weight 633.

Sourcing context

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

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research Chemicals Heterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

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.

Synonyms & references

Names & Synonyms

N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(4-chlorophenoxy)acetamideN-({5-[(N-1,3-benzothiazol-2-ylcarbamoyl)methylthio]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)(p-chlorophenoxy)acetamide

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.

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.

Procurement questions

What are the key identifiers for N-(benzo[d]thiazol-2-yl)-2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 391951-81-8)?

N-(benzo[d]thiazol-2-yl)-2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is identified by CAS 391951-81-8, with molecular formula C27H20ClF3N6O3S2, molecular weight 633.1, InChIKey DUUDMGBCRNFNMJ-UHFFFAOYSA-N.

Can I request a COA for CAS 391951-81-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for N-(benzo[d]thiazol-2-yl)-2-((5-((2-(4-chlorophenoxy)acetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 391951-81-8 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.