BAS 00398234
TL;DR: BAS 00398234 (CAS 313986-77-5) is a chemical compound with molecular formula C21H11ClF3N5O and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(4-cyanophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00398234, 3-chloro-N-(4-cyanophenyl)-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-cyanophenyl)carboxamide
| Molecular Formula | C21H11ClF3N5O |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 5.19248 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.06042 |
| Heavy Atoms | 31 |
| Complexity | 1325.877 |
Chemical Identifiers
| CAS Number | 313986-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC=C(C=C4)C#N)Cl |
Product Overview
BAS 00398234 (CAS 313986-77-5), with molecular formula C21H11ClF3N5O and molecular weight 441.06 g/mol. IUPAC: 3-chloro-N-(4-cyanophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00398234
Property Insights of BAS 00398234
The XLogP value of 5.19248 indicates that BAS 00398234 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 00398234. Following Lipinski's Rule of Five, BAS 00398234 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 00398234?
The CAS number of BAS 00398234 is 313986-77-5.
What is the molecular formula of BAS 00398234?
The molecular formula of BAS 00398234 is C21H11ClF3N5O.
What is the molecular weight of BAS 00398234?
The molecular weight of BAS 00398234 is 441.06 g/mol.
Where can I buy BAS 00398234?
You can request a quote for BAS 00398234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398234?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.