N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide
TL;DR: N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide (CAS 141245-76-3) is a chemical compound with molecular formula C13H8ClN3O5 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-nitrophenyl)-4-nitrobenzamide
Also Known As: N-(4-chloro-2-nitrophenyl)-4-nitrobenzamide, BAS 00082598, N-(4-Chloro-2-nitro-phenyl)-4-nitro-benzamide, 668-347-6, RefChem:827380
| Molecular Formula | C13H8ClN3O5 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.01526 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 141245-76-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IALMNKFBYSABBZ-UHFFFAOYSA-N |
Product Overview
N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide (CAS 141245-76-3), with molecular formula C13H8ClN3O5 and molecular weight 321.02 g/mol. IUPAC: N-(4-chloro-2-nitrophenyl)-4-nitrobenzamide.
Chemical Property Profile of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide
Property Insights of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide
The XLogP value of 3.3 indicates that N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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 N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide?
The CAS number of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide is 141245-76-3.
What is the molecular formula of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide?
The molecular formula of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide is C13H8ClN3O5.
What is the molecular weight of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide?
The molecular weight of N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide is 321.02 g/mol.
Where can I buy N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide?
You can request a quote for N-(4-Chloro-2-nitrophenyl)-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-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-2-nitrophenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.