4-(3,4-Difluorophenyl)-4-oxobutanoic acid
TL;DR: 4-(3,4-Difluorophenyl)-4-oxobutanoic acid (CAS 84313-98-4) is a chemical compound with molecular formula C10H8F2O3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-difluorophenyl)-4-oxobutanoic acid
Also Known As: 4-(3,4-difluorophenyl)-4-oxobutanoic acid, 4-(3,4-Difluorophenyl)-4-oxobutyric acid, fluorobenzoylpropionic acid, 4- -4-OXOBUTYRICACID, 4-(3,4-difluorophenyl)-4-oxo-butanoic Acid
| Molecular Formula | C10H8F2O3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.0123 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.04414 |
| Heavy Atoms | 15 |
| Complexity | 401.65402 |
Chemical Identifiers
| CAS Number | 84313-98-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CCC(=O)O)F)F |
Product Overview
4-(3,4-Difluorophenyl)-4-oxobutanoic acid (CAS 84313-98-4), with molecular formula C10H8F2O3 and molecular weight 214.04 g/mol. IUPAC: 4-(3,4-difluorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid
Property Insights of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid
The XLogP value of 2.0123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Difluorophenyl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(3,4-Difluorophenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Difluorophenyl)-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 4-(3,4-Difluorophenyl)-4-oxobutanoic acid?
The CAS number of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid is 84313-98-4.
What is the molecular formula of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid is C10H8F2O3.
What is the molecular weight of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3,4-Difluorophenyl)-4-oxobutanoic acid is 214.04 g/mol.
Where can I buy 4-(3,4-Difluorophenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3,4-Difluorophenyl)-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 4-(3,4-Difluorophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Difluorophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.