![4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid structure](/static/products/5361/53616-18-5.webp)
4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
TL;DR: 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid (CAS 53616-18-5) 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.
(E)-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
Also Known As: 4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid, IFLAB-BB F0306-0075, N-[3-(TRIFLUOROMETHYL)PHENYL]MALEAMIC ACID, (2E)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}prop-2-enoic acid, (E)-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid
| Molecular Formula | C11H8F3NO3 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.3 |
| 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 | 53616-18-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)/C=C/C(=O)O)C(F)(F)F |
| InChIKey | XHTHMZFBLNIKJC-SNAWJCMRSA-N |
Product Overview
4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid (CAS 53616-18-5), with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol. IUPAC: (E)-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
Property Insights of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[3-(trifluoromethyl)anilino]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-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The CAS number of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid is 53616-18-5.
What is the molecular formula of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The molecular formula of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid is C11H8F3NO3.
What is the molecular weight of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The molecular weight of 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid is 259.05 g/mol.
Where can I buy 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid?
You can request a quote for 4-Oxo-4-[3-(trifluoromethyl)anilino]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-[3-(trifluoromethyl)anilino]but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.