Ethyl 3-fluoro-4-methylbenzoylformate
TL;DR: Ethyl 3-fluoro-4-methylbenzoylformate (CAS 732251-65-9) is a chemical compound with molecular formula C11H11FO3 and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate
Also Known As: Ethyl 3-fluoro-4-methylbenzoylformate, ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate, ETHYL3-FLUORO-4-METHYLBENZOYLFORMATE, Ethyl (3-fluoro-4-methylphenyl)(oxo)acetate, (3-fluoro-4-methylphenyl)oxoacetic acid ethyl ester
| Molecular Formula | C11H11FO3 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 1.87992 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06923 |
| Heavy Atoms | 15 |
| Complexity | 398.81955 |
Chemical Identifiers
| CAS Number | 732251-65-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C=C1)C)F |
Product Overview
Ethyl 3-fluoro-4-methylbenzoylformate (CAS 732251-65-9), with molecular formula C11H11FO3 and molecular weight 210.07 g/mol. IUPAC: ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 3-fluoro-4-methylbenzoylformate
Property Insights of Ethyl 3-fluoro-4-methylbenzoylformate
The XLogP value of 1.87992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-fluoro-4-methylbenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-fluoro-4-methylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-fluoro-4-methylbenzoylformate 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-fluoro-4-methylbenzoylformate?
The CAS number of Ethyl 3-fluoro-4-methylbenzoylformate is 732251-65-9.
What is the molecular formula of Ethyl 3-fluoro-4-methylbenzoylformate?
The molecular formula of Ethyl 3-fluoro-4-methylbenzoylformate is C11H11FO3.
What is the molecular weight of Ethyl 3-fluoro-4-methylbenzoylformate?
The molecular weight of Ethyl 3-fluoro-4-methylbenzoylformate is 210.07 g/mol.
Where can I buy Ethyl 3-fluoro-4-methylbenzoylformate?
You can request a quote for Ethyl 3-fluoro-4-methylbenzoylformate 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-methylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-fluoro-4-methylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.