(E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid (CAS 53313-33-0) is a chemical compound with molecular formula C11H7ClF3NO3 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
Also Known As: 6-Chlor-3-acetamino-benzonitril, (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid, AB01331418-02, F1065-0600, (E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H7ClF3NO3 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 2.9381 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.00665 |
| Heavy Atoms | 19 |
| Complexity | 540.47723 |
Chemical Identifiers
| CAS Number | 53313-33-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)/C=C/C(=O)O)C(F)(F)F)Cl |
Product Overview
(E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid (CAS 53313-33-0), with molecular formula C11H7ClF3NO3 and molecular weight 293.01 g/mol. IUPAC: (E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid
The XLogP value of 2.9381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-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 (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid is 53313-33-0.
What is the molecular formula of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid is C11H7ClF3NO3.
What is the molecular weight of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid is 293.01 g/mol.
Where can I buy (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-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-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-chloro-3-(trifluoromethyl)phenyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.