BAS 00189428
TL;DR: BAS 00189428 (CAS 304687-16-9) is a chemical compound with molecular formula C23H15BrF3N5OS and molecular weight 545.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00189428, 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-bromo-5-phenyl-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]-N -(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide
| Molecular Formula | C23H15BrF3N5OS |
|---|---|
| Molecular Weight | 545.01 g/mol |
| LogP | 6.24188 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.0133 |
| Heavy Atoms | 34 |
| Complexity | 1470.2563 |
Chemical Identifiers
| CAS Number | 304687-16-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F)C#N |
Product Overview
BAS 00189428 (CAS 304687-16-9), with molecular formula C23H15BrF3N5OS and molecular weight 545.01 g/mol. IUPAC: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00189428
Property Insights of BAS 00189428
The XLogP value of 6.24188 indicates that BAS 00189428 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 00189428. Following Lipinski's Rule of Five, BAS 00189428 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00189428?
The CAS number of BAS 00189428 is 304687-16-9.
What is the molecular formula of BAS 00189428?
The molecular formula of BAS 00189428 is C23H15BrF3N5OS.
What is the molecular weight of BAS 00189428?
The molecular weight of BAS 00189428 is 545.01 g/mol.
Where can I buy BAS 00189428?
You can request a quote for BAS 00189428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00189428?
Yes, KEHONG BIO provides custom synthesis services for BAS 00189428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.