(Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid
TL;DR: (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 868153-28-0) is a chemical compound with molecular formula C12H10F3NO3 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-methyl-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
Also Known As: (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid, AP-263/42868608, A4125/0175851, (Z)-3-methyl-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid, F1732-0006
| Molecular Formula | C12H10F3NO3 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.6748 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06128 |
| Heavy Atoms | 19 |
| Complexity | 535.2663 |
Chemical Identifiers
| CAS Number | 868153-28-0 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/C(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
(Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 868153-28-0), with molecular formula C12H10F3NO3 and molecular weight 273.06 g/mol. IUPAC: (Z)-3-methyl-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid.
Chemical Property Profile of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid
Property Insights of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid
The XLogP value of 2.6748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid. Following Lipinski's Rule of Five, (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid has 2 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 (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The CAS number of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid is 868153-28-0.
What is the molecular formula of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The molecular formula of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid is C12H10F3NO3.
What is the molecular weight of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
The molecular weight of (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid is 273.06 g/mol.
Where can I buy (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
You can request a quote for (Z)-3-methyl-4-oxo-4-((3-(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 (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-methyl-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.