ChemDiv1_012362
TL;DR: ChemDiv1_012362 (CAS 333765-40-5) is a chemical compound with molecular formula C23H18F3N5O6 and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012362, BAS 00924537, 5-(4-nitrophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [5-(4-nitrophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]- N-(3,4,5-trimethoxyphenyl)carboxamide
| Molecular Formula | C23H18F3N5O6 |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 4.6014 |
| Topological Polar Surface Area | 130.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1209 |
| Heavy Atoms | 37 |
| Complexity | 1476.5221 |
Chemical Identifiers
| CAS Number | 333765-40-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F |
Product Overview
ChemDiv1_012362 (CAS 333765-40-5), with molecular formula C23H18F3N5O6 and molecular weight 517.12 g/mol. IUPAC: 5-(4-nitrophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012362
Property Insights of ChemDiv1_012362
The XLogP value of 4.6014 indicates that ChemDiv1_012362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012362. Following Lipinski's Rule of Five, ChemDiv1_012362 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012362?
The CAS number of ChemDiv1_012362 is 333765-40-5.
What is the molecular formula of ChemDiv1_012362?
The molecular formula of ChemDiv1_012362 is C23H18F3N5O6.
What is the molecular weight of ChemDiv1_012362?
The molecular weight of ChemDiv1_012362 is 517.12 g/mol.
Where can I buy ChemDiv1_012362?
You can request a quote for ChemDiv1_012362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012362?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.