4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid
TL;DR: 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid (CAS 565181-85-3) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Also Known As: 4-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoic acid, 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid, 4-Oxo-4-(4-(phenylsulfonyl)piperazin-1-yl)butanoic acid, 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoic Acid, 4-oxo-4-[4-(phenylsulfonyl)piperazinyl]butanoic acid
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 0.3843 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 636.45685 |
Chemical Identifiers
| CAS Number | 565181-85-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid (CAS 565181-85-3), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid
Property Insights of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid
The XLogP value of 0.3843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic 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-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid is 565181-85-3.
What is the molecular formula of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid is C14H18N2O5S.
What is the molecular weight of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid is 326.09 g/mol.
Where can I buy 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic 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-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzenesulfonyl)piperazin-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.