Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester
TL;DR: Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester (CAS 71423-38-6) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethenylphenyl)methyl 2-chloroacetate
Also Known As: Chloroacetic acid, 3(or 4)-ethenylbenzyl ester, (4-Ethenylphenyl)methyl chloroacetate, (4-ethenylphenyl)methyl 2-chloroacetate, Acetic acid, chloro-, (3(or 4)-ethenylphenyl)methyl ester, Acetic acid, chloro-, [3(or 4)-ethenylphenyl]methyl ester
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 2.6116 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 316.56433 |
Chemical Identifiers
| CAS Number | 71423-38-6 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)COC(=O)CCl |
Product Overview
Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester (CAS 71423-38-6), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: (4-ethenylphenyl)methyl 2-chloroacetate.
Chemical Property Profile of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester
Property Insights of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester
The XLogP value of 2.6116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester 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 Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester?
The CAS number of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester is 71423-38-6.
What is the molecular formula of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester?
The molecular formula of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester is C11H11ClO2.
What is the molecular weight of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester?
The molecular weight of Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester is 210.04 g/mol.
Where can I buy Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester?
You can request a quote for Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-, (3(or 4)-ethenylphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.