![4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid structure](/static/products/7417/741729-16-8.webp)
4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
TL;DR: 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid (CAS 741729-16-8) is a chemical compound with molecular formula C15H18N2O5S and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
Also Known As: 4-Oxo-4-(4-tosylpiperazin-1-yl)but-2-enoic acid, 4-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid, 4-Oxo-4-(4-tosylpiperazin-1-yl)but-2-enoicacid, (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid, (2E)-4-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid
| Molecular Formula | C15H18N2O5S |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 0.46872 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.09363 |
| Heavy Atoms | 23 |
| Complexity | 716.7391 |
Chemical Identifiers
| CAS Number | 741729-16-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C(=O)O |
Product Overview
4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid (CAS 741729-16-8), with molecular formula C15H18N2O5S and molecular weight 338.09 g/mol. IUPAC: (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
Property Insights of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
The XLogP value of 0.46872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(4-Methylbenzenesulfonyl)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-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[4-(4-Methylbenzenesulfonyl)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-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The CAS number of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is 741729-16-8.
What is the molecular formula of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The molecular formula of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is C15H18N2O5S.
What is the molecular weight of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The molecular weight of 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is 338.09 g/mol.
Where can I buy 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
You can request a quote for 4-[4-(4-Methylbenzenesulfonyl)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-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.