BAS 00189345
TL;DR: BAS 00189345 (CAS 299406-06-7) is a chemical compound with molecular formula C16H12BrN5OS and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00189345, AB00081454-01, 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, (6-bromo(8-hydropyrazolo[1,5-a]pyrimidin-2-yl))-N-(3-cyano(4,5,6,7-tetrahydrob enzo[b]thiophen-2-yl))carboxamide, 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C16H12BrN5OS |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 3.55608 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.9946 |
| Heavy Atoms | 24 |
| Complexity | 999.9696 |
Chemical Identifiers
| CAS Number | 299406-06-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C=C(C=NC4=C3)Br)C#N |
Product Overview
BAS 00189345 (CAS 299406-06-7), with molecular formula C16H12BrN5OS and molecular weight 400.99 g/mol. IUPAC: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00189345
Property Insights of BAS 00189345
The XLogP value of 3.55608 indicates that BAS 00189345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00189345. Following Lipinski's Rule of Five, BAS 00189345 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00189345?
The CAS number of BAS 00189345 is 299406-06-7.
What is the molecular formula of BAS 00189345?
The molecular formula of BAS 00189345 is C16H12BrN5OS.
What is the molecular weight of BAS 00189345?
The molecular weight of BAS 00189345 is 400.99 g/mol.
Where can I buy BAS 00189345?
You can request a quote for BAS 00189345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00189345?
Yes, KEHONG BIO provides custom synthesis services for BAS 00189345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.