BAS 00398232
TL;DR: BAS 00398232 (CAS 313986-76-4) is a chemical compound with molecular formula C22H14ClF3N4O3 and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
Also Known As: BAS 00398232, methyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate, methyl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate, methyl 2-(3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)benzoate, METHYL 2-[3-CHLORO-5-PHENYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]BENZOATE
| Molecular Formula | C22H14ClF3N4O3 |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 5.1074 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.07065 |
| Heavy Atoms | 33 |
| Complexity | 1370.8214 |
Chemical Identifiers
| CAS Number | 313986-76-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00398232 (CAS 313986-76-4), with molecular formula C22H14ClF3N4O3 and molecular weight 474.07 g/mol. IUPAC: methyl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate.
Chemical Property Profile of BAS 00398232
Property Insights of BAS 00398232
The XLogP value of 5.1074 indicates that BAS 00398232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00398232. Following Lipinski's Rule of Five, BAS 00398232 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00398232?
The CAS number of BAS 00398232 is 313986-76-4.
What is the molecular formula of BAS 00398232?
The molecular formula of BAS 00398232 is C22H14ClF3N4O3.
What is the molecular weight of BAS 00398232?
The molecular weight of BAS 00398232 is 474.07 g/mol.
Where can I buy BAS 00398232?
You can request a quote for BAS 00398232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398232?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.