Ethyl 3-fluoro-4-methoxybenzoylformate
TL;DR: Ethyl 3-fluoro-4-methoxybenzoylformate (CAS 345-72-2) is a chemical compound with molecular formula C11H11FO4 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-oxoacetate
Also Known As: Ethyl 3-fluoro-4-methoxybenzoylformate, ethyl 2-(3-fluoro-4-methoxyphenyl)-2-oxoacetate, Ethyl3-fluoro-4-methoxybenzoylformate, Ethyl (3-fluoro-4-methoxyphenyl)(oxo)acetate, ethyl 2-(3-fluoro-4-methoxy-phenyl)-2-oxo-acetate
| Molecular Formula | C11H11FO4 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 1.5801 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.06413 |
| Heavy Atoms | 16 |
| Complexity | 414.44562 |
Chemical Identifiers
| CAS Number | 345-72-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C=C1)OC)F |
Product Overview
Ethyl 3-fluoro-4-methoxybenzoylformate (CAS 345-72-2), with molecular formula C11H11FO4 and molecular weight 226.06 g/mol. IUPAC: ethyl 2-(3-fluoro-4-methoxyphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 3-fluoro-4-methoxybenzoylformate
Property Insights of Ethyl 3-fluoro-4-methoxybenzoylformate
The XLogP value of 1.5801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-fluoro-4-methoxybenzoylformate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-fluoro-4-methoxybenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-fluoro-4-methoxybenzoylformate has 0 hydrogen bond donor(s) and 4 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-fluoro-4-methoxybenzoylformate?
The CAS number of Ethyl 3-fluoro-4-methoxybenzoylformate is 345-72-2.
What is the molecular formula of Ethyl 3-fluoro-4-methoxybenzoylformate?
The molecular formula of Ethyl 3-fluoro-4-methoxybenzoylformate is C11H11FO4.
What is the molecular weight of Ethyl 3-fluoro-4-methoxybenzoylformate?
The molecular weight of Ethyl 3-fluoro-4-methoxybenzoylformate is 226.06 g/mol.
Where can I buy Ethyl 3-fluoro-4-methoxybenzoylformate?
You can request a quote for Ethyl 3-fluoro-4-methoxybenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-fluoro-4-methoxybenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-fluoro-4-methoxybenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.