![2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid structure](/static/products/7417/741729-17-9.webp)
2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid
TL;DR: 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid (CAS 741729-17-9) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
Also Known As: 2-[4-(4-methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid, 2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic Acid, 2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}carbonyl)benzoic acid, 2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzoic acid, 2-[4-(4-methylbenzenesulfonyl)piperazine-1-carbonyl]benzoicacid
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 1.83992 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 961.8495 |
Chemical Identifiers
| CAS Number | 741729-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid (CAS 741729-17-9), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: 2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid.
Chemical Property Profile of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid
Property Insights of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid
The XLogP value of 1.83992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid. Following Lipinski's Rule of Five, 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic 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 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid?
The CAS number of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid is 741729-17-9.
What is the molecular formula of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid?
The molecular formula of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid is C19H20N2O5S.
What is the molecular weight of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid?
The molecular weight of 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid is 388.11 g/mol.
Where can I buy 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid?
You can request a quote for 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.