Ethyl chlorophenylacetate
TL;DR: Ethyl chlorophenylacetate (CAS 4773-33-5) 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.
ethyl 2-chloro-2-phenylacetate
Also Known As: ethyl 2-chloro-2-phenylacetate, Ethyl alpha-chlorophenylacetate, Ethyl chloro(phenyl)acetate, Ethyl chlorophenylacetate, Ethyl
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 4773-33-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)Cl |
| InChIKey | XXRLJXZVZZXDPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl chlorophenylacetate (CAS 4773-33-5), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: ethyl 2-chloro-2-phenylacetate.
Chemical Property Profile of Ethyl chlorophenylacetate
Property Insights of Ethyl chlorophenylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl chlorophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl chlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl chlorophenylacetate 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 chlorophenylacetate?
The CAS number of Ethyl chlorophenylacetate is 4773-33-5.
What is the molecular formula of Ethyl chlorophenylacetate?
The molecular formula of Ethyl chlorophenylacetate is C10H11ClO2.
What is the molecular weight of Ethyl chlorophenylacetate?
The molecular weight of Ethyl chlorophenylacetate is 198.04 g/mol.
Where can I buy Ethyl chlorophenylacetate?
You can request a quote for Ethyl chlorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl chlorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl chlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.