phenyl N-(2-chloroethyl)carbamate
TL;DR: phenyl N-(2-chloroethyl)carbamate (CAS 96783-89-0) 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.
phenyl N-(2-chloroethyl)carbamate
Also Known As: phenyl 2-chloroethylcarbamate, phenyl N-(2-chloroethyl)carbamate, O-phenyl N-(2-chloroethyl)-carbamate, Carbamic acid, N-(2-chloroethyl)-, phenyl ester
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 96783-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NCCCl |
| InChIKey | OQEWMPDHUJWKJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenyl N-(2-chloroethyl)carbamate (CAS 96783-89-0), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: phenyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of phenyl N-(2-chloroethyl)carbamate
Property Insights of phenyl N-(2-chloroethyl)carbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl N-(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, phenyl N-(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl N-(2-chloroethyl)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 phenyl N-(2-chloroethyl)carbamate?
The CAS number of phenyl N-(2-chloroethyl)carbamate is 96783-89-0.
What is the molecular formula of phenyl N-(2-chloroethyl)carbamate?
The molecular formula of phenyl N-(2-chloroethyl)carbamate is C9H10ClNO2.
What is the molecular weight of phenyl N-(2-chloroethyl)carbamate?
The molecular weight of phenyl N-(2-chloroethyl)carbamate is 199.04 g/mol.
Where can I buy phenyl N-(2-chloroethyl)carbamate?
You can request a quote for phenyl N-(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for phenyl N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.