BAS 00924613
TL;DR: BAS 00924613 (CAS 313248-57-6) is a chemical compound with molecular formula C25H22F3N5OS2 and molecular weight 529.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00924613, F0452-5756, N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C25H22F3N5OS2 |
|---|---|
| Molecular Weight | 529.12 g/mol |
| LogP | 6.81308 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.12177 |
| Heavy Atoms | 36 |
| Complexity | 1503.6946 |
Chemical Identifiers
| CAS Number | 313248-57-6 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00924613 (CAS 313248-57-6), with molecular formula C25H22F3N5OS2 and molecular weight 529.12 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00924613
Property Insights of BAS 00924613
The XLogP value of 6.81308 indicates that BAS 00924613 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 00924613. Following Lipinski's Rule of Five, BAS 00924613 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00924613?
The CAS number of BAS 00924613 is 313248-57-6.
What is the molecular formula of BAS 00924613?
The molecular formula of BAS 00924613 is C25H22F3N5OS2.
What is the molecular weight of BAS 00924613?
The molecular weight of BAS 00924613 is 529.12 g/mol.
Where can I buy BAS 00924613?
You can request a quote for BAS 00924613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924613?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.