Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-
TL;DR: Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- (CAS 58182-61-9) is a chemical compound with molecular formula C11H9FO3 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-methylidene-4-oxobutanoic acid
Also Known As: 2-Methylene-4-oxo-4-(fluorophenyl)butyric acid, 4-Fluoro-alpha-methylene-gamma-oxobenzenebutanoic acid, Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-, 4-(4-fluorophenyl)-2-methylidene-4-oxobutanoic acid, 3-(4-fluorobenzoyl)-2-methylenepropionic acid
| Molecular Formula | C11H9FO3 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 2.0393 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.05357 |
| Heavy Atoms | 15 |
| Complexity | 406.34613 |
Chemical Identifiers
| CAS Number | 58182-61-9 |
|---|---|
| SMILES | C=C(CC(=O)C1=CC=C(C=C1)F)C(=O)O |
Product Overview
Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- (CAS 58182-61-9), with molecular formula C11H9FO3 and molecular weight 208.05 g/mol. IUPAC: 4-(4-fluorophenyl)-2-methylidene-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-
Property Insights of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-
The XLogP value of 2.0393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-. With a topological polar surface area (TPSA) of 54.37 Ų, Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- has 1 hydrogen bond donor(s) and 2 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 Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- is 58182-61-9.
What is the molecular formula of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- is C11H9FO3.
What is the molecular weight of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- is 208.05 g/mol.
Where can I buy Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 4-fluoro-alpha-methylene-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.