Research chemical
CAS Number: 851125-87-6
![ethyl 2-(2-((1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate molecular structure, CAS 851125-87-6](/structure-images/851125-87-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
135521023
Exact Mass
537.150447
InChIKey
SSDHQIOFAGXILE-UHFFFAOYSA-N
IUPAC Name
ethyl 2-[2-[[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILES String
CCOC(=O)c1c(NC(=O)C(C)Sc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)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.
ethyl 2-(2-((1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is identified by CAS 851125-87-6, with molecular formula C26H27N5O4S2, molecular weight 537.7, InChIKey SSDHQIOFAGXILE-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
37
H-bond acceptors
9
H-bond donors
2
Rotatable bonds
7
Ring count
5
Aromatic rings
4
Topological polar surface area
118.97 Ų
Computed LogP
4.57
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 135521023.
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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