4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid
TL;DR: 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 306278-78-4) is a chemical compound with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
Also Known As: SDCCGMLS-0065424.P001, 3-(2-Trifluoromethyl-phenylcarbamoyl)-acrylic acid, 4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid, 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid
| Molecular Formula | C11H8F3NO3 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04562 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 306278-78-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C=CC(=O)O |
| InChIKey | BUHKBTGELFUBBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 306278-78-4), with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol. IUPAC: 4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid
Property Insights of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid has 2 hydrogen bond donor(s) and 6 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-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The CAS number of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid is 306278-78-4.
What is the molecular formula of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid is C11H8F3NO3.
What is the molecular weight of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid is 259.05 g/mol.
Where can I buy 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)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-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.