3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid
TL;DR: 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid (CAS 866043-52-9) is a chemical compound with molecular formula C17H15FO3 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid
Also Known As: 3-(4-fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid, 3-(4-fluorophenyl)-2-methyl-4-oxo-4-phenyl-butanoic Acid, 3-(4-fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoicacid
| Molecular Formula | C17H15FO3 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.5129 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.10052 |
| Heavy Atoms | 21 |
| Complexity | 634.8446 |
Chemical Identifiers
| CAS Number | 866043-52-9 |
|---|---|
| SMILES | CC(C(C1=CC=C(C=C1)F)C(=O)C2=CC=CC=C2)C(=O)O |
Product Overview
3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid (CAS 866043-52-9), with molecular formula C17H15FO3 and molecular weight 286.10 g/mol. IUPAC: 3-(4-fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid
Property Insights of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.5129 indicates that 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid 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 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid?
The CAS number of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid is 866043-52-9.
What is the molecular formula of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid?
The molecular formula of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid is C17H15FO3.
What is the molecular weight of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid?
The molecular weight of 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid is 286.10 g/mol.
Where can I buy 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid?
You can request a quote for 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-2-methyl-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.