3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
TL;DR: 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid (CAS 49780-08-7) is a chemical compound with molecular formula C10H8BrFO3 and molecular weight 273.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
Also Known As: 3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid, Benzenebutanoic acid, b-bromo-4-fluoro-g-oxo-, UPCMLD0ENAT5245391:001, 3-Bromo-3-(p-fluorobenzoyl)propionic acid, 3-bromo-3-(4-fluorobenzoyl)propionic acid
| Molecular Formula | C10H8BrFO3 |
|---|---|
| Molecular Weight | 273.96 g/mol |
| LogP | 2.2466 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.96408 |
| Heavy Atoms | 15 |
| Complexity | 374.75882 |
Chemical Identifiers
| CAS Number | 49780-08-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(CC(=O)O)Br)F |
Product Overview
3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid (CAS 49780-08-7), with molecular formula C10H8BrFO3 and molecular weight 273.96 g/mol. IUPAC: 3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
Property Insights of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
The XLogP value of 2.2466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic 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-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid?
The CAS number of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid is 49780-08-7.
What is the molecular formula of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid?
The molecular formula of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid is C10H8BrFO3.
What is the molecular weight of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid?
The molecular weight of 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid is 273.96 g/mol.
Where can I buy 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid?
You can request a quote for 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(4-fluorophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.