Ethyl 3-(4-chlorophenyl)-2-oxopropanoate
TL;DR: Ethyl 3-(4-chlorophenyl)-2-oxopropanoate (CAS 790269-68-0) 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)-2-oxopropanoate
Also Known As: ethyl 3-(4-chlorophenyl)-2-oxopropanoate, Ethyl 3-(4-chlorophenyl)pyruvate, Ethyl (4-chlorophenyl)pyruvate, ETHYL3- -2-OXOPROPANOATE, Ethyl 3-(4-chlorophenyl)-2-oxo-propanoate
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.0147 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 356.6007 |
Chemical Identifiers
| CAS Number | 790269-68-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 3-(4-chlorophenyl)-2-oxopropanoate (CAS 790269-68-0), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate
Property Insights of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate
The XLogP value of 2.0147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-chlorophenyl)-2-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-(4-chlorophenyl)-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-2-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)-2-oxopropanoate?
The CAS number of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate is 790269-68-0.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate is C11H11ClO3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-2-oxopropanoate is 226.04 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-2-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)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.