Ethyl 4-chlorobenzylidenecarbamate
TL;DR: Ethyl 4-chlorobenzylidenecarbamate (CAS 681260-32-2) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(4-chlorophenyl)methylidene]carbamate
Also Known As: Ethyl 4-chlorobenzylidenecarbamate, Ethyl4-chlorobenzylidenecarbamate, (4-Chloro-benzylidene)-carbamic acid ethyl ester, ethyl N-[(4-chlorophenyl)methylidene]carbamate
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.9154 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 332.48016 |
Chemical Identifiers
| CAS Number | 681260-32-2 |
|---|---|
| SMILES | CCOC(=O)N=CC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 4-chlorobenzylidenecarbamate (CAS 681260-32-2), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: ethyl N-[(4-chlorophenyl)methylidene]carbamate.
Chemical Property Profile of Ethyl 4-chlorobenzylidenecarbamate
Property Insights of Ethyl 4-chlorobenzylidenecarbamate
The XLogP value of 2.9154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chlorobenzylidenecarbamate. With a topological polar surface area (TPSA) of 38.66 Ų, Ethyl 4-chlorobenzylidenecarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chlorobenzylidenecarbamate 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 4-chlorobenzylidenecarbamate?
The CAS number of Ethyl 4-chlorobenzylidenecarbamate is 681260-32-2.
What is the molecular formula of Ethyl 4-chlorobenzylidenecarbamate?
The molecular formula of Ethyl 4-chlorobenzylidenecarbamate is C10H10ClNO2.
What is the molecular weight of Ethyl 4-chlorobenzylidenecarbamate?
The molecular weight of Ethyl 4-chlorobenzylidenecarbamate is 211.04 g/mol.
Where can I buy Ethyl 4-chlorobenzylidenecarbamate?
You can request a quote for Ethyl 4-chlorobenzylidenecarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorobenzylidenecarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorobenzylidenecarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.