BAS 00398196
TL;DR: BAS 00398196 (CAS 314048-58-3) is a chemical compound with molecular formula C20H11ClF4N4O and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00398196, N-(3-chloro-4-fluorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H11ClF4N4O |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 5.4599 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.05576 |
| Heavy Atoms | 30 |
| Complexity | 1255.1342 |
Chemical Identifiers
| CAS Number | 314048-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
BAS 00398196 (CAS 314048-58-3), with molecular formula C20H11ClF4N4O and molecular weight 434.06 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00398196
Property Insights of BAS 00398196
The XLogP value of 5.4599 indicates that BAS 00398196 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 00398196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00398196 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00398196?
The CAS number of BAS 00398196 is 314048-58-3.
What is the molecular formula of BAS 00398196?
The molecular formula of BAS 00398196 is C20H11ClF4N4O.
What is the molecular weight of BAS 00398196?
The molecular weight of BAS 00398196 is 434.06 g/mol.
Where can I buy BAS 00398196?
You can request a quote for BAS 00398196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398196?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.