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What are the key identifiers for N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 494861-42-6)?
N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is identified by CAS 494861-42-6, with molecular formula C21H19BrF3N5O2S2, molecular weight 574.4, InChIKey DRDUQKJNUDAEBY-UHFFFAOYSA-N.
Can I request a COA for CAS 494861-42-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 494861-42-6 available for quotation?
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
34
H-bond acceptors
7
H-bond donors
4
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
102.04 Ų
Computed LogP
5.66
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.
Catalog Facts
Structural features
40 g/mol, PubChem CID 4204982.
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.
![N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide molecular structure, CAS 494861-42-6](/structure-images/494861-42-6.png?v=struct-v2)