Research chemical
CAS Number: 332856-99-2
![3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide molecular structure, CAS 332856-99-2](/structure-images/332856-99-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3133896
Exact Mass
539.02384
InChIKey
UCWNDNGCNDKZKF-UHFFFAOYSA-N
IUPAC Name
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILES String
N#Cc1c(NC(=O)c2nn3c(c2Br)NC(c2ccco2)CC3C(F)(F)F)sc2c1CCCC2
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.
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is identified by CAS 332856-99-2, with molecular formula C21H17BrF3N5O2S, molecular weight 540.4, InChIKey UCWNDNGCNDKZKF-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
33
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
3
Ring count
5
Aromatic rings
3
Topological polar surface area
95.88 Ų
Computed LogP
5.96
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
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 332856-99-2) is maintained as a commercial cas reference with formula C21H17BrF3N5O2S, molecular weight 540.
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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.