Ethyl 3-(4-chlorophenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(4-chlorophenyl)-3-oxopropanoate (CAS 2881-63-2) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-3-oxopropanoate
Also Known As: Ethyl 3-(4-chlorophenyl)-3-oxopropanoate, Ethyl (4-chlorobenzoyl)acetate, Ethyl 3-(4-chlorophenyl)-3-oxo-propionate, ethyl chlorobenzoyl acetate, Ehtyl p-chlorobenzoylacetate
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2881-63-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | DGCZHKABHPDNCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-chlorophenyl)-3-oxopropanoate (CAS 2881-63-2), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-chlorophenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-(4-chlorophenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 3 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 3-(4-chlorophenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate is 2881-63-2.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate is C11H11ClO3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-3-oxopropanoate is 226.04 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.