BAS 00414952
TL;DR: BAS 00414952 (CAS 313987-43-8) is a chemical compound with molecular formula C21H14ClF3N4OS and molecular weight 462.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414952, 3-chloro-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-Chloro-5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
| Molecular Formula | C21H14ClF3N4OS |
|---|---|
| Molecular Weight | 462.05 g/mol |
| LogP | 6.0427 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.0529 |
| Heavy Atoms | 31 |
| Complexity | 1275.0967 |
Chemical Identifiers
| CAS Number | 313987-43-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00414952 (CAS 313987-43-8), with molecular formula C21H14ClF3N4OS and molecular weight 462.05 g/mol. IUPAC: 3-chloro-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414952
Property Insights of BAS 00414952
The XLogP value of 6.0427 indicates that BAS 00414952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, BAS 00414952 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414952 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00414952?
The CAS number of BAS 00414952 is 313987-43-8.
What is the molecular formula of BAS 00414952?
The molecular formula of BAS 00414952 is C21H14ClF3N4OS.
What is the molecular weight of BAS 00414952?
The molecular weight of BAS 00414952 is 462.05 g/mol.
Where can I buy BAS 00414952?
You can request a quote for BAS 00414952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414952?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.