Ethyl(chloromethyl)phenyl carbamic acid
TL;DR: Ethyl(chloromethyl)phenyl carbamic acid (CAS 35600-63-6) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(chloromethyl)-N-phenylcarbamate
Also Known As: Chlor-IFC, Ethyl(chloromethyl)phenyl carbamic acid, Ethyl (chloromethyl)phenylcarbamate, ethyl (chloromethyl)(phenyl)carbamate, ethyl N-(chloromethyl)-N-phenylcarbamate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 35600-63-6 |
|---|---|
| SMILES | CCOC(=O)N(CCl)C1=CC=CC=C1 |
| InChIKey | OCCQMRLRBZHIPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl(chloromethyl)phenyl carbamic acid (CAS 35600-63-6), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: ethyl N-(chloromethyl)-N-phenylcarbamate.
Chemical Property Profile of Ethyl(chloromethyl)phenyl carbamic acid
Property Insights of Ethyl(chloromethyl)phenyl carbamic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(chloromethyl)phenyl carbamic acid. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl(chloromethyl)phenyl carbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(chloromethyl)phenyl carbamic acid has 0 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(chloromethyl)phenyl carbamic acid?
The CAS number of Ethyl(chloromethyl)phenyl carbamic acid is 35600-63-6.
What is the molecular formula of Ethyl(chloromethyl)phenyl carbamic acid?
The molecular formula of Ethyl(chloromethyl)phenyl carbamic acid is C10H12ClNO2.
What is the molecular weight of Ethyl(chloromethyl)phenyl carbamic acid?
The molecular weight of Ethyl(chloromethyl)phenyl carbamic acid is 213.06 g/mol.
Where can I buy Ethyl(chloromethyl)phenyl carbamic acid?
You can request a quote for Ethyl(chloromethyl)phenyl carbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(chloromethyl)phenyl carbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(chloromethyl)phenyl carbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.