Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester
TL;DR: Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester (CAS 67049-72-3) is a chemical compound with molecular formula C4H7ClN2O4 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-chloroethyl)-N-nitrocarbamate
Also Known As: TL 387, Methyl (2-chloroethyl)(nitro)carbamate, Methyl N-(beta-chloroethyl)-N-nitrocarbamate, methyl N-(2-chloroethyl)-N-nitrocarbamate, CARBAMIC ACID, N-(2-CHLOROETHYL)-N-NITRO-, METHYL ESTER
| Molecular Formula | C4H7ClN2O4 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.00943 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 67049-72-3 |
|---|---|
| SMILES | COC(=O)N(CCCl)[N+](=O)[O-] |
| InChIKey | WVIOMWUTPSKREM-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester (CAS 67049-72-3), with molecular formula C4H7ClN2O4 and molecular weight 182.01 g/mol. IUPAC: methyl N-(2-chloroethyl)-N-nitrocarbamate.
Chemical Property Profile of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester
Property Insights of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester has 0 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 Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester?
The CAS number of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester is 67049-72-3.
What is the molecular formula of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester?
The molecular formula of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester is C4H7ClN2O4.
What is the molecular weight of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester?
The molecular weight of Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester is 182.01 g/mol.
Where can I buy Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester?
You can request a quote for Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.