![3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid structure](/static/products/3270/327072-92-4.webp)
3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid
TL;DR: 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 327072-92-4) is a chemical compound with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-benzylpiperazin-1-yl)sulfonylbenzoic Acid, 3-(4-Benzyl-piperazine-1-sulfonyl)-benzoic acid, 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoicacid, 3-((4-benzylpiperazin-1-yl)sulfonyl)benzoic acid
| Molecular Formula | C18H20N2O4S |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 1.8913 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.11438 |
| Heavy Atoms | 25 |
| Complexity | 844.3896 |
Chemical Identifiers
| CAS Number | 327072-92-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 327072-92-4), with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid
Property Insights of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid
The XLogP value of 1.8913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)sulfonyl]benzoic acid?
The CAS number of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid is 327072-92-4.
What is the molecular formula of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular formula of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid is C18H20N2O4S.
What is the molecular weight of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular weight of 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid is 360.11 g/mol.
Where can I buy 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid?
You can request a quote for 3-[(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.