Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester
TL;DR: Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester (CAS 501679-26-1) is a chemical compound with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-(4-methyl-2-nitrophenyl)carbamate
Also Known As: 2-Chloroethyl (4-methyl-2-nitrophenyl)carbamate, 2-chloroethyl N-(4-methyl-2-nitrophenyl)carbamate, Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester
| Molecular Formula | C10H11ClN2O4 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04074 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 501679-26-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)OCCCl)[N+](=O)[O-] |
| InChIKey | ORBCCUWKXUVSJO-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester (CAS 501679-26-1), with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol. IUPAC: 2-chloroethyl N-(4-methyl-2-nitrophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester
Property Insights of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester 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 Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester?
The CAS number of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester is 501679-26-1.
What is the molecular formula of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester?
The molecular formula of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester is C10H11ClN2O4.
What is the molecular weight of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester?
The molecular weight of Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester is 258.04 g/mol.
Where can I buy Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester?
You can request a quote for Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl 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, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-methyl-2-nitrophenyl)-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.