ethyl N-(2-chloro-4-nitrophenyl)carbamate
TL;DR: ethyl N-(2-chloro-4-nitrophenyl)carbamate (CAS 199179-65-2) is a chemical compound with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-chloro-4-nitrophenyl)carbamate
Also Known As: ethyl N-(2-chloro-4-nitrophenyl)carbamate, Ethyl N-(2-chloro-4-nitro-phenyl)carbamate, (2-chloro-4-nitro-phenyl)-carbamic acid ethyl ester, (2-Chloro-4-nitrophenyl)-carbamic acid ethyl ester, Carbamic acid, (2-chloro-4-nitrophenyl)-, ethyl ester
| Molecular Formula | C9H9ClN2O4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.8166 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.02509 |
| Heavy Atoms | 16 |
| Complexity | 421.97006 |
Chemical Identifiers
| CAS Number | 199179-65-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
ethyl N-(2-chloro-4-nitrophenyl)carbamate (CAS 199179-65-2), with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol. IUPAC: ethyl N-(2-chloro-4-nitrophenyl)carbamate.
Chemical Property Profile of ethyl N-(2-chloro-4-nitrophenyl)carbamate
Property Insights of ethyl N-(2-chloro-4-nitrophenyl)carbamate
The XLogP value of 2.8166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2-chloro-4-nitrophenyl)carbamate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(2-chloro-4-nitrophenyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(2-chloro-4-nitrophenyl)carbamate has 1 hydrogen bond donor(s) and 4 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 ethyl N-(2-chloro-4-nitrophenyl)carbamate?
The CAS number of ethyl N-(2-chloro-4-nitrophenyl)carbamate is 199179-65-2.
What is the molecular formula of ethyl N-(2-chloro-4-nitrophenyl)carbamate?
The molecular formula of ethyl N-(2-chloro-4-nitrophenyl)carbamate is C9H9ClN2O4.
What is the molecular weight of ethyl N-(2-chloro-4-nitrophenyl)carbamate?
The molecular weight of ethyl N-(2-chloro-4-nitrophenyl)carbamate is 244.03 g/mol.
Where can I buy ethyl N-(2-chloro-4-nitrophenyl)carbamate?
You can request a quote for ethyl N-(2-chloro-4-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(2-chloro-4-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-chloro-4-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.