Methyl 2-fluoro-beta-oxobenzenepropanoate
TL;DR: Methyl 2-fluoro-beta-oxobenzenepropanoate (CAS 592533-70-5) is a chemical compound with molecular formula C10H9FO3 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-fluorophenyl)-3-oxopropanoate
Also Known As: methyl 3-(2-fluorophenyl)-3-oxopropanoate, methyl 2-fluorobenzoylacetate, Octane,1-(methylthio), 3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester, Methyl2-fluorobenzoylacetate
| Molecular Formula | C10H9FO3 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.5715 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.05357 |
| Heavy Atoms | 14 |
| Complexity | 360.13968 |
Chemical Identifiers
| CAS Number | 592533-70-5 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=CC=C1F |
Product Overview
Methyl 2-fluoro-beta-oxobenzenepropanoate (CAS 592533-70-5), with molecular formula C10H9FO3 and molecular weight 196.05 g/mol. IUPAC: methyl 3-(2-fluorophenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 2-fluoro-beta-oxobenzenepropanoate
Property Insights of Methyl 2-fluoro-beta-oxobenzenepropanoate
The XLogP value of 1.5715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-fluoro-beta-oxobenzenepropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-fluoro-beta-oxobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-fluoro-beta-oxobenzenepropanoate 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 Methyl 2-fluoro-beta-oxobenzenepropanoate?
The CAS number of Methyl 2-fluoro-beta-oxobenzenepropanoate is 592533-70-5.
What is the molecular formula of Methyl 2-fluoro-beta-oxobenzenepropanoate?
The molecular formula of Methyl 2-fluoro-beta-oxobenzenepropanoate is C10H9FO3.
What is the molecular weight of Methyl 2-fluoro-beta-oxobenzenepropanoate?
The molecular weight of Methyl 2-fluoro-beta-oxobenzenepropanoate is 196.05 g/mol.
Where can I buy Methyl 2-fluoro-beta-oxobenzenepropanoate?
You can request a quote for Methyl 2-fluoro-beta-oxobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-fluoro-beta-oxobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-fluoro-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.