Research chemical
CAS Number: 315707-94-9
![Acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-[(3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]- molecular structure, CAS 315707-94-9](/structure-images/315707-94-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1632951
Exact Mass
504.074839
InChIKey
ZSPMUFLXCIJIRD-UHFFFAOYSA-N
IUPAC Name
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
SMILES String
N#Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)sc2c1CCC2
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-[(3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]- is identified by CAS 315707-94-9, with molecular formula C25H20N4O2S3, molecular weight 504.7, InChIKey ZSPMUFLXCIJIRD-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
34
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
5
Ring count
6
Aromatic rings
4
Topological polar surface area
87.78 Ų
Computed LogP
5.09
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.
Structural features
70 g/mol, PubChem CID 1632951.
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.
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