BAS 01841231
TL;DR: BAS 01841231 (CAS 332853-93-7) is a chemical compound with molecular formula C22H20ClF3N4O4 and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: BAS 01841231, BIM-0012489.P001, N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C22H20ClF3N4O4 |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 5.1719 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.11252 |
| Heavy Atoms | 34 |
| Complexity | 1231.3441 |
Chemical Identifiers
| CAS Number | 332853-93-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(N3C(=C(C=N3)C(=O)NC4=C(C=CC(=C4)Cl)O)N2)C(F)(F)F)OC |
Product Overview
BAS 01841231 (CAS 332853-93-7), with molecular formula C22H20ClF3N4O4 and molecular weight 496.11 g/mol. IUPAC: N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of BAS 01841231
Property Insights of BAS 01841231
The XLogP value of 5.1719 indicates that BAS 01841231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01841231. Following Lipinski's Rule of Five, BAS 01841231 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01841231?
The CAS number of BAS 01841231 is 332853-93-7.
What is the molecular formula of BAS 01841231?
The molecular formula of BAS 01841231 is C22H20ClF3N4O4.
What is the molecular weight of BAS 01841231?
The molecular weight of BAS 01841231 is 496.11 g/mol.
Where can I buy BAS 01841231?
You can request a quote for BAS 01841231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01841231?
Yes, KEHONG BIO provides custom synthesis services for BAS 01841231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.