Ethyl 4-chloro-3-fluorobenzoylformate
TL;DR: Ethyl 4-chloro-3-fluorobenzoylformate (CAS 845790-56-9) is a chemical compound with molecular formula C10H8ClFO3 and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate
Also Known As: Ethyl 4-chloro-3-fluorobenzoylformate, ethyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate, Ethyl4-chloro-3-fluorobenzoylformate, Ethyl 4-chloro-3-fluoro-alpha-oxobenzeneacetate, Ethyl (4-chloro-3-fluorophenyl)(oxo)acetate
| Molecular Formula | C10H8ClFO3 |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 2.2249 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0146 |
| Heavy Atoms | 15 |
| Complexity | 403.65402 |
Chemical Identifiers
| CAS Number | 845790-56-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)F |
Product Overview
Ethyl 4-chloro-3-fluorobenzoylformate (CAS 845790-56-9), with molecular formula C10H8ClFO3 and molecular weight 230.01 g/mol. IUPAC: ethyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-chloro-3-fluorobenzoylformate
Property Insights of Ethyl 4-chloro-3-fluorobenzoylformate
The XLogP value of 2.2249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-3-fluorobenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-chloro-3-fluorobenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-fluorobenzoylformate 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-chloro-3-fluorobenzoylformate?
The CAS number of Ethyl 4-chloro-3-fluorobenzoylformate is 845790-56-9.
What is the molecular formula of Ethyl 4-chloro-3-fluorobenzoylformate?
The molecular formula of Ethyl 4-chloro-3-fluorobenzoylformate is C10H8ClFO3.
What is the molecular weight of Ethyl 4-chloro-3-fluorobenzoylformate?
The molecular weight of Ethyl 4-chloro-3-fluorobenzoylformate is 230.01 g/mol.
Where can I buy Ethyl 4-chloro-3-fluorobenzoylformate?
You can request a quote for Ethyl 4-chloro-3-fluorobenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-fluorobenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-fluorobenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.