4-chloro-N-ethyl-2-nitrobenzamide
TL;DR: 4-chloro-N-ethyl-2-nitrobenzamide (CAS 2953-63-1) is a chemical compound with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-ethyl-2-nitrobenzamide
Also Known As: 4-chloro-N-ethyl-2-nitrobenzamide, 4-Chloro-N-ethyl-2-nitro-benzamide, BAS 00783391, (4-chloro-2-nitrophenyl)-N-ethylcarboxamide
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 1.9979 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 406.34396 |
Chemical Identifiers
| CAS Number | 2953-63-1 |
|---|---|
| SMILES | CCNC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-ethyl-2-nitrobenzamide (CAS 2953-63-1), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: 4-chloro-N-ethyl-2-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-ethyl-2-nitrobenzamide
Property Insights of 4-chloro-N-ethyl-2-nitrobenzamide
The XLogP value of 1.9979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-ethyl-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-ethyl-2-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-ethyl-2-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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 4-chloro-N-ethyl-2-nitrobenzamide?
The CAS number of 4-chloro-N-ethyl-2-nitrobenzamide is 2953-63-1.
What is the molecular formula of 4-chloro-N-ethyl-2-nitrobenzamide?
The molecular formula of 4-chloro-N-ethyl-2-nitrobenzamide is C9H9ClN2O3.
What is the molecular weight of 4-chloro-N-ethyl-2-nitrobenzamide?
The molecular weight of 4-chloro-N-ethyl-2-nitrobenzamide is 228.03 g/mol.
Where can I buy 4-chloro-N-ethyl-2-nitrobenzamide?
You can request a quote for 4-chloro-N-ethyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-ethyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-ethyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.