3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid
TL;DR: 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid (CAS 568577-57-1) is a chemical compound with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid, 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid, 3-(4-Acetyl-piperazine-1-sulfonyl)-benzoic acid, 3-(4-acetylpiperazin-1-yl)sulfonylbenzoic Acid, 3-[(4-acetyl-1-piperazinyl)sulfonyl]Benzoic acid
| Molecular Formula | C13H16N2O5S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 0.2376 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.078 |
| Heavy Atoms | 21 |
| Complexity | 662.8941 |
Chemical Identifiers
| CAS Number | 568577-57-1 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid (CAS 568577-57-1), with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol. IUPAC: 3-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid
Property Insights of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid
The XLogP value of 0.2376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-((4-Acetylpiperazin-1-yl)sulfonyl)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 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid?
The CAS number of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid is 568577-57-1.
What is the molecular formula of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid?
The molecular formula of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid is C13H16N2O5S.
What is the molecular weight of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid?
The molecular weight of 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid is 312.08 g/mol.
Where can I buy 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid?
You can request a quote for 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Acetylpiperazin-1-yl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.