![3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid structure](/static/products/3299/329932-88-9.webp)
3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid
TL;DR: 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 329932-88-9) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-Phenyl-piperazine-1-sulfonyl)-benzoic acid, 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid, 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid, 3-[(4-phenylpiperazinyl)sulfonyl]benzoic acid
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 329932-88-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
| InChIKey | XPDAYARHVAIRCS-UHFFFAOYSA-N |
Product Overview
3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 329932-88-9), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid
Property Insights of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic 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 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid?
The CAS number of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid is 329932-88-9.
What is the molecular formula of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular formula of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid is C17H18N2O4S.
What is the molecular weight of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular weight of 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid is 346.10 g/mol.
Where can I buy 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid?
You can request a quote for 3-[(4-Phenylpiperazin-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-Phenylpiperazin-1-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.