Acetic acid, phenyl-, 2-chloroethyl ester
TL;DR: Acetic acid, phenyl-, 2-chloroethyl ester (CAS 943-59-9) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-phenylacetate
Also Known As: 2-chloroethyl 2-phenylacetate, 2-Chloroethyl phenylacetate, b-chloroethyl phenylacetate, 2-Chloroethyl phenyl acetate, ACETIC ACID, PHENYL-, 2-CHLOROETHYL ESTER
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 943-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCCCl |
| InChIKey | IFAWZYKLULDJQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, phenyl-, 2-chloroethyl ester (CAS 943-59-9), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-chloroethyl 2-phenylacetate.
Chemical Property Profile of Acetic acid, phenyl-, 2-chloroethyl ester
Property Insights of Acetic acid, phenyl-, 2-chloroethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, phenyl-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, phenyl-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, phenyl-, 2-chloroethyl 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, phenyl-, 2-chloroethyl ester?
The CAS number of Acetic acid, phenyl-, 2-chloroethyl ester is 943-59-9.
What is the molecular formula of Acetic acid, phenyl-, 2-chloroethyl ester?
The molecular formula of Acetic acid, phenyl-, 2-chloroethyl ester is C10H11ClO2.
What is the molecular weight of Acetic acid, phenyl-, 2-chloroethyl ester?
The molecular weight of Acetic acid, phenyl-, 2-chloroethyl ester is 198.04 g/mol.
Where can I buy Acetic acid, phenyl-, 2-chloroethyl ester?
You can request a quote for Acetic acid, phenyl-, 2-chloroethyl 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, phenyl-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phenyl-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.