Research chemical
CAS Number: 494826-14-1
![Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimid ino[4,5-b]thiophen-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate molecular structure, CAS 494826-14-1](/structure-images/494826-14-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1574998
Exact Mass
526.080319
InChIKey
ZFGGLEZMZHVSRN-UHFFFAOYSA-N
IUPAC Name
ethyl 4-methyl-2-[[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]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILES String
CCOC(=O)c1s/c(=N\C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)[nH]c1C
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 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimid ino[4,5-b]thiophen-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate is identified by CAS 494826-14-1, with molecular formula C24H22N4O4S3, molecular weight 526.7, InChIKey ZFGGLEZMZHVSRN-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
35
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
106.41 Ų
Computed LogP
4.03
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
Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimid ino[4,5-b]thiophen-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate (CAS 494826-14-1) is maintained as a commercial cas reference with formula C24H22N4O4S3, molecular weight 526.
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.
Safety and handling reference content is available through documentation requests.
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