3-(4-Fluorobenzoyl)propionic acid
TL;DR: 3-(4-Fluorobenzoyl)propionic acid (CAS 366-77-8) 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.
4-(4-fluorophenyl)-4-oxobutanoic acid
Also Known As: 3-(4-Fluorobenzoyl)propionic acid, 4-(4-Fluorophenyl)-4-oxobutanoic acid, Maybridge1_000099, 3-(4-Fluorobenzoyl)propanoic acid, 4-fluorobenzoylpropionic acid
| Molecular Formula | C10H9FO3 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.05357 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 366-77-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| InChIKey | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorobenzoyl)propionic acid (CAS 366-77-8), with molecular formula C10H9FO3 and molecular weight 196.05 g/mol. IUPAC: 4-(4-fluorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-Fluorobenzoyl)propionic acid
Property Insights of 3-(4-Fluorobenzoyl)propionic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorobenzoyl)propionic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Fluorobenzoyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorobenzoyl)propionic acid has 1 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 3-(4-Fluorobenzoyl)propionic acid?
The CAS number of 3-(4-Fluorobenzoyl)propionic acid is 366-77-8.
What is the molecular formula of 3-(4-Fluorobenzoyl)propionic acid?
The molecular formula of 3-(4-Fluorobenzoyl)propionic acid is C10H9FO3.
What is the molecular weight of 3-(4-Fluorobenzoyl)propionic acid?
The molecular weight of 3-(4-Fluorobenzoyl)propionic acid is 196.05 g/mol.
Where can I buy 3-(4-Fluorobenzoyl)propionic acid?
You can request a quote for 3-(4-Fluorobenzoyl)propionic 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-Fluorobenzoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.