ChemDiv1_012436
TL;DR: ChemDiv1_012436 (CAS 333761-34-5) is a chemical compound with molecular formula C22H16ClF3N4O4 and molecular weight 492.08 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)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: ChemDiv1_012436, BAS 00923893, N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, [5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-3 -yl)]-N-(5-chloro-2-hydroxyphenyl)carboxamide
| Molecular Formula | C22H16ClF3N4O4 |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 5.0436 |
| Topological Polar Surface Area | 97.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.0812 |
| Heavy Atoms | 34 |
| Complexity | 1405.1665 |
Chemical Identifiers
| CAS Number | 333761-34-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)Cl)O)OC |
Product Overview
ChemDiv1_012436 (CAS 333761-34-5), with molecular formula C22H16ClF3N4O4 and molecular weight 492.08 g/mol. IUPAC: N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_012436
Property Insights of ChemDiv1_012436
The XLogP value of 5.0436 indicates that ChemDiv1_012436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012436. Following Lipinski's Rule of Five, ChemDiv1_012436 has 2 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 ChemDiv1_012436?
The CAS number of ChemDiv1_012436 is 333761-34-5.
What is the molecular formula of ChemDiv1_012436?
The molecular formula of ChemDiv1_012436 is C22H16ClF3N4O4.
What is the molecular weight of ChemDiv1_012436?
The molecular weight of ChemDiv1_012436 is 492.08 g/mol.
Where can I buy ChemDiv1_012436?
You can request a quote for ChemDiv1_012436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012436?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.