Ethyl (3-chlorophenyl)carbamate
TL;DR: Ethyl (3-chlorophenyl)carbamate (CAS 2461-95-2) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-chlorophenyl)carbamate
Also Known As: ethyl (3-chlorophenyl)carbamate, ethyl N-(3-chlorophenyl)carbamate, N-(3-Chlorophenyl)Urethane, Ethyl 3-chlorophenylcarbamate, Methyl thiosalicylate
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 2461-95-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | LBVUCHGNHUEOFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (3-chlorophenyl)carbamate (CAS 2461-95-2), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: ethyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Ethyl (3-chlorophenyl)carbamate
Property Insights of Ethyl (3-chlorophenyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-chlorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl (3-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-chlorophenyl)carbamate 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 Ethyl (3-chlorophenyl)carbamate?
The CAS number of Ethyl (3-chlorophenyl)carbamate is 2461-95-2.
What is the molecular formula of Ethyl (3-chlorophenyl)carbamate?
The molecular formula of Ethyl (3-chlorophenyl)carbamate is C9H10ClNO2.
What is the molecular weight of Ethyl (3-chlorophenyl)carbamate?
The molecular weight of Ethyl (3-chlorophenyl)carbamate is 199.04 g/mol.
Where can I buy Ethyl (3-chlorophenyl)carbamate?
You can request a quote for Ethyl (3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.