ChemDiv1_012624
TL;DR: ChemDiv1_012624 (CAS 5841-69-0) is a chemical compound with molecular formula C22H16F3N5O4 and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012624, BIM-0034899.P001, N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(4-methoxybenzyl)-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[(4-methoxyphenyl)methyl][5-(4-nitrophenyl)-7-(trifluoromethyl)(8-hydropyraz olo[1,5-a]pyrimidin-2-yl)]carboxamide
| Molecular Formula | C22H16F3N5O4 |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.2619 |
| Topological Polar Surface Area | 111.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.11545 |
| Heavy Atoms | 34 |
| Complexity | 1366.5667 |
Chemical Identifiers
| CAS Number | 5841-69-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F |
Product Overview
ChemDiv1_012624 (CAS 5841-69-0), with molecular formula C22H16F3N5O4 and molecular weight 471.12 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012624
Property Insights of ChemDiv1_012624
The XLogP value of 4.2619 indicates that ChemDiv1_012624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012624. Following Lipinski's Rule of Five, ChemDiv1_012624 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012624?
The CAS number of ChemDiv1_012624 is 5841-69-0.
What is the molecular formula of ChemDiv1_012624?
The molecular formula of ChemDiv1_012624 is C22H16F3N5O4.
What is the molecular weight of ChemDiv1_012624?
The molecular weight of ChemDiv1_012624 is 471.12 g/mol.
Where can I buy ChemDiv1_012624?
You can request a quote for ChemDiv1_012624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012624?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.