![4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid structure](/static/products/7442/744264-22-0.webp)
4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
TL;DR: 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid (CAS 744264-22-0) is a chemical compound with molecular formula C15H19N3O7S and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid
Also Known As: 4-[4-(2-methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid, 4-{4-[(2-methyl-5-nitrophenyl)sulfonyl]piperazin-1-yl}-4-oxobutanoic acid, 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid, 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic Acid, 4-(4-[(2-Methyl-5-nitrophenyl)sulfonyl]piperazin-1-yl)-4-oxobutanoic acid
| Molecular Formula | C15H19N3O7S |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 0.60092 |
| Topological Polar Surface Area | 138.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.09436 |
| Heavy Atoms | 26 |
| Complexity | 829.6418 |
Chemical Identifiers
| CAS Number | 744264-22-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O |
Product Overview
4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid (CAS 744264-22-0), with molecular formula C15H19N3O7S and molecular weight 385.09 g/mol. IUPAC: 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Property Insights of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
The XLogP value of 0.60092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid. The TPSA of 138.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 6 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-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid?
The CAS number of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid is 744264-22-0.
What is the molecular formula of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid?
The molecular formula of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid is C15H19N3O7S.
What is the molecular weight of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid?
The molecular weight of 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid is 385.09 g/mol.
Where can I buy 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid?
You can request a quote for 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)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-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Methyl-5-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.