N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide
TL;DR: N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide (CAS 879457-65-5) is a chemical compound with molecular formula C22H12ClFN2O5 and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-chloro-3-(4-fluorophenyl)-4-oxochromen-2-yl]-4-nitrobenzamide
Also Known As: N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide, N-[6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl]-4-nitrobenzamide, N-[6-chloro-3-(4-fluorophenyl)-4-oxo-chromen-2-yl]-4-nitro-benzamide, N-[6-chloro-3-(4-fluorophenyl)-4-oxochromen-2-yl]-4-nitrobenzamide
| Molecular Formula | C22H12ClFN2O5 |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 5.413 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.04187 |
| Heavy Atoms | 31 |
| Complexity | 1382.4384 |
Chemical Identifiers
| CAS Number | 879457-65-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])F |
Product Overview
N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide (CAS 879457-65-5), with molecular formula C22H12ClFN2O5 and molecular weight 438.04 g/mol. IUPAC: N-[6-chloro-3-(4-fluorophenyl)-4-oxochromen-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide
Property Insights of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide
The XLogP value of 5.413 indicates that N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide 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 N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide?
The CAS number of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide is 879457-65-5.
What is the molecular formula of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide?
The molecular formula of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide is C22H12ClFN2O5.
What is the molecular weight of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide?
The molecular weight of N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide is 438.04 g/mol.
Where can I buy N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide?
You can request a quote for N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.