o-Chlorophenyl methylcarbamate
TL;DR: o-Chlorophenyl methylcarbamate (CAS 3942-54-9) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) N-methylcarbamate
Also Known As: Etrofol, Hopcide, CPMC, Hoppside, 2-Chlorophenyl methylcarbamate
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| Melting Point | 90-91 °C |
| Solubility | SOL IN ACETONE, METHANOL, ETHANOL, DIMETHYLFORMAMIDE |
| Vapor Pressure | 0.00831 [mmHg] |
Chemical Identifiers
| CAS Number | 3942-54-9 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC=C1Cl |
| InChIKey | ZAGNMMRDHSEOPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chlorophenyl methylcarbamate (CAS 3942-54-9), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: (2-chlorophenyl) N-methylcarbamate.
Chemical Property Profile of o-Chlorophenyl methylcarbamate
Property Insights of o-Chlorophenyl methylcarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorophenyl methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, o-Chlorophenyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chlorophenyl methylcarbamate has 1 hydrogen bond donor(s) and 2 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 o-Chlorophenyl methylcarbamate?
The CAS number of o-Chlorophenyl methylcarbamate is 3942-54-9.
What is the molecular formula of o-Chlorophenyl methylcarbamate?
The molecular formula of o-Chlorophenyl methylcarbamate is C8H8ClNO2.
What is the molecular weight of o-Chlorophenyl methylcarbamate?
The molecular weight of o-Chlorophenyl methylcarbamate is 185.02 g/mol.
Where can I buy o-Chlorophenyl methylcarbamate?
You can request a quote for o-Chlorophenyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chlorophenyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for o-Chlorophenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.