2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate
TL;DR: 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate (CAS 76564-08-4) is a chemical compound with molecular formula C9H8Cl2N2O4 and molecular weight 277.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-(2-chloro-4-nitrophenyl)carbamate
Also Known As: 2-chloroethyl N-(2-chloro-4-nitrophenyl)carbamate, 2-chloroethyl (2-chloro-4-nitrophenyl)carbamate, 667-224-4, RefChem:470433
| Molecular Formula | C9H8Cl2N2O4 |
|---|---|
| Molecular Weight | 277.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.9861 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 76564-08-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)OCCCl |
| InChIKey | SHQBPTLHLKKABS-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate (CAS 76564-08-4), with molecular formula C9H8Cl2N2O4 and molecular weight 277.99 g/mol. IUPAC: 2-chloroethyl N-(2-chloro-4-nitrophenyl)carbamate.
Chemical Property Profile of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate
Property Insights of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate. Following Lipinski's Rule of Five, 2-Chloroethyl 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 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate?
The CAS number of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate is 76564-08-4.
What is the molecular formula of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate?
The molecular formula of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate is C9H8Cl2N2O4.
What is the molecular weight of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate?
The molecular weight of 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate is 277.99 g/mol.
Where can I buy 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate?
You can request a quote for 2-Chloroethyl 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 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N-(2-chloro-4-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.