BAS 00414949
TL;DR: BAS 00414949 (CAS 314049-04-2) is a chemical compound with molecular formula C22H16ClF3N4O2 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414949, 3-chloro-N-(4-methoxybenzyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-[(4-methoxyphenyl)methyl]-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, [3-chloro-5-phenyl-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]- N-[(4-methoxyphenyl)methyl]carboxamide
| Molecular Formula | C22H16ClF3N4O2 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 5.0071 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.0914 |
| Heavy Atoms | 32 |
| Complexity | 1272.5708 |
Chemical Identifiers
| CAS Number | 314049-04-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00414949 (CAS 314049-04-2), with molecular formula C22H16ClF3N4O2 and molecular weight 460.09 g/mol. IUPAC: 3-chloro-N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414949
Property Insights of BAS 00414949
The XLogP value of 5.0071 indicates that BAS 00414949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414949. Following Lipinski's Rule of Five, BAS 00414949 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 00414949?
The CAS number of BAS 00414949 is 314049-04-2.
What is the molecular formula of BAS 00414949?
The molecular formula of BAS 00414949 is C22H16ClF3N4O2.
What is the molecular weight of BAS 00414949?
The molecular weight of BAS 00414949 is 460.09 g/mol.
Where can I buy BAS 00414949?
You can request a quote for BAS 00414949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414949?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.