Research chemical
CAS Number: 6184-76-5
![ethyl 2-(2-((4-(4-nitrophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate molecular structure, CAS 6184-76-5](/structure-images/6184-76-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5203350
Exact Mass
650.16174
InChIKey
BJAURLVRVOBYBG-UHFFFAOYSA-N
IUPAC Name
ethyl 2-[[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILES String
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
ethyl 2-(2-((4-(4-nitrophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is identified by CAS 6184-76-5, with molecular formula C30H30N6O7S2, molecular weight 650.7, InChIKey BJAURLVRVOBYBG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
13
H-bond donors
2
Rotatable bonds
13
Ring count
5
Aromatic rings
4
Topological polar surface area
167.58 Ų
Computed LogP
4.72
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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.
Structural features
ethyl 2-(2-((4-(4-nitrophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 6184-76-5) is maintained as a commercial cas reference with formula C30H30N6O7S2, molecular weight 650.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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