Ethyl 4-chlorobenzoylformate
TL;DR: Ethyl 4-chlorobenzoylformate (CAS 34966-48-8) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorophenyl)-2-oxoacetate
Also Known As: Ethyl 4-chlorobenzoylformate, ethyl 2-(4-chlorophenyl)-2-oxoacetate, ETHYL 4-CHLOROPHENYLGLYOXYLATE, Ethyl4-chlorobenzoylformate, Ethyl (4-chlorobenzoyl)formate
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.0858 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 342.88968 |
Chemical Identifiers
| CAS Number | 34966-48-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)Cl |
Product Overview
Ethyl 4-chlorobenzoylformate (CAS 34966-48-8), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: ethyl 2-(4-chlorophenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-chlorobenzoylformate
Property Insights of Ethyl 4-chlorobenzoylformate
The XLogP value of 2.0858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chlorobenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-chlorobenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chlorobenzoylformate 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 4-chlorobenzoylformate?
The CAS number of Ethyl 4-chlorobenzoylformate is 34966-48-8.
What is the molecular formula of Ethyl 4-chlorobenzoylformate?
The molecular formula of Ethyl 4-chlorobenzoylformate is C10H9ClO3.
What is the molecular weight of Ethyl 4-chlorobenzoylformate?
The molecular weight of Ethyl 4-chlorobenzoylformate is 212.02 g/mol.
Where can I buy Ethyl 4-chlorobenzoylformate?
You can request a quote for Ethyl 4-chlorobenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorobenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorobenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.