![4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid structure](/static/products/888/888099-82-9.png)
4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid
TL;DR: 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid (CAS 888099-82-9) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid
Also Known As: 4-{4-[(3,4-dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid, 4-(4-((3,4-dimethylphenyl)sulfonyl)piperazin-1-yl)-4-oxobutanoic acid, 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic Acid, 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid, 4-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-4-oxobutanoic acid
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 1.00114 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 736.8347 |
Chemical Identifiers
| CAS Number | 888099-82-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O)C |
Product Overview
4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid (CAS 888099-82-9), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid
Property Insights of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid
The XLogP value of 1.00114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-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-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid?
The CAS number of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid is 888099-82-9.
What is the molecular formula of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid?
The molecular formula of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid is C16H22N2O5S.
What is the molecular weight of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid?
The molecular weight of 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid is 354.12 g/mol.
Where can I buy 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid?
You can request a quote for 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-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-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(3,4-Dimethylphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.