![(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid structure](/static/products/1164/1164526-87-7.webp)
(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
TL;DR: (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid (CAS 1164526-87-7) is a chemical compound with molecular formula C11H8F3NO3S and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
Also Known As: (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid, AB00570239-02, (E)-4-oxo-4-((4-((trifluoromethyl)thio)phenyl)amino)but-2-enoic acid, F0239-0646, 4-oxo-4-({4-[(trifluoromethyl)thio]phenyl}amino)-2-butenoic acid
| Molecular Formula | C11H8F3NO3S |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.0177 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 1164526-87-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)SC(F)(F)F |
| InChIKey | MCCQYWQNFOXHSY-AATRIKPKSA-N |
Product Overview
(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid (CAS 1164526-87-7), with molecular formula C11H8F3NO3S and molecular weight 291.02 g/mol. IUPAC: (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid.
Chemical Property Profile of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
Property Insights of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid has 2 hydrogen bond donor(s) and 7 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 (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid?
The CAS number of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid is 1164526-87-7.
What is the molecular formula of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid?
The molecular formula of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid is C11H8F3NO3S.
What is the molecular weight of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid?
The molecular weight of (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid is 291.02 g/mol.
Where can I buy (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid?
You can request a quote for (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)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 (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.