N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide
TL;DR: N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide (CAS 879449-46-4) is a chemical compound with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide
Also Known As: AB01290687-01, N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide, N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide, N-(6-chloro-4-oxo-3-phenyl-chromen-2-yl)-3-nitro-benzamide
| Molecular Formula | C22H13ClN2O5 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.2739 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0513 |
| Heavy Atoms | 30 |
| Complexity | 1348.9956 |
Chemical Identifiers
| CAS Number | 879449-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide (CAS 879449-46-4), with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol. IUPAC: N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide
Property Insights of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide
The XLogP value of 5.2739 indicates that N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-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-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-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-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide?
The CAS number of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide is 879449-46-4.
What is the molecular formula of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide?
The molecular formula of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide is C22H13ClN2O5.
What is the molecular weight of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide?
The molecular weight of N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide is 420.05 g/mol.
Where can I buy N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide?
You can request a quote for N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-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-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-4-oxo-3-phenyl-4H-chromen-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.