(Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid
TL;DR: (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid (CAS 1196034-01-1) is a chemical compound with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid
Also Known As: AB00111638-01, (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid, (2Z)-4-oxo-4-phenyl-2-{[3-(trifluoromethyl)phenyl]amino}but-2-enoic acid, (Z)-4-oxo-4-phenyl-2-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid, 4-oxo-4-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]but-2-enoic Acid
| Molecular Formula | C17H12F3NO3 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.9687 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.07693 |
| Heavy Atoms | 24 |
| Complexity | 783.16785 |
Chemical Identifiers
| CAS Number | 1196034-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C(/C(=O)O)\NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
(Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid (CAS 1196034-01-1), with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol. IUPAC: (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid.
Chemical Property Profile of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid
Property Insights of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid
The XLogP value of 3.9687 indicates that (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid has 2 hydrogen bond donor(s) and 3 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 (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The CAS number of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid is 1196034-01-1.
What is the molecular formula of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The molecular formula of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid is C17H12F3NO3.
What is the molecular weight of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid?
The molecular weight of (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid is 335.08 g/mol.
Where can I buy (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid?
You can request a quote for (Z)-4-oxo-4-phenyl-2-[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 (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.