4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid
TL;DR: 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid (CAS 191014-72-9) is a chemical compound with molecular formula C10H6F2O3 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-difluorophenyl)-4-oxobut-2-enoic acid
Also Known As: 4-(3,4-difluorophenyl)-4-oxobut-2-enoic acid, 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid, 4-(3,4-difluorophenyl)-4-oxo-but-2-enoic Acid, (2E)-4-(3,4-difluorophenyl)-4-oxobut-2-enoic acid
| Molecular Formula | C10H6F2O3 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 1.7883 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.0285 |
| Heavy Atoms | 15 |
| Complexity | 438.29367 |
Chemical Identifiers
| CAS Number | 191014-72-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C=CC(=O)O)F)F |
Product Overview
4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid (CAS 191014-72-9), with molecular formula C10H6F2O3 and molecular weight 212.03 g/mol. IUPAC: 4-(3,4-difluorophenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid
Property Insights of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid
The XLogP value of 1.7883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic 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-Difluoro-phenyl)-4-oxo-but-2-enoic acid?
The CAS number of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid is 191014-72-9.
What is the molecular formula of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid?
The molecular formula of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid is C10H6F2O3.
What is the molecular weight of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid?
The molecular weight of 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid is 212.03 g/mol.
Where can I buy 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid?
You can request a quote for 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic 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-Difluoro-phenyl)-4-oxo-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.