![4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid structure](/static/products/7434/743445-12-7.webp)
4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid
TL;DR: 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid (CAS 743445-12-7) is a chemical compound with molecular formula C15H14ClF3N2O5S and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
Also Known As: 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid, (E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid, (2E)-4-(4-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperazin-1-yl)-4-oxobut-2-enoic acid, (E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-4-keto-but-2-enoic acid, 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxo-but-2-enoic Acid
| Molecular Formula | C15H14ClF3N2O5S |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 1.8325 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0264 |
| Heavy Atoms | 27 |
| Complexity | 877.92883 |
Chemical Identifiers
| CAS Number | 743445-12-7 |
|---|---|
| SMILES | C1CN(CCN1C(=O)/C=C/C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid (CAS 743445-12-7), with molecular formula C15H14ClF3N2O5S and molecular weight 426.03 g/mol. IUPAC: (E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid
Property Insights of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid
The XLogP value of 1.8325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 4 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-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid?
The CAS number of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid is 743445-12-7.
What is the molecular formula of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid?
The molecular formula of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid is C15H14ClF3N2O5S.
What is the molecular weight of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid?
The molecular weight of 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid is 426.03 g/mol.
Where can I buy 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid?
You can request a quote for 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-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 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.