![3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid structure](/static/products/4474/447411-92-9.webp)
3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid
TL;DR: 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 447411-92-9) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 3-[(4-benzoylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid, BAS 04850594, benzoic acid, 3-[(4-benzoyl-1-piperazinyl)sulfonyl]-, 3-(4-Benzoyl-piperazine-1-sulfonyl)-benzoic acid
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 1.5315 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 919.6075 |
Chemical Identifiers
| CAS Number | 447411-92-9 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid (CAS 447411-92-9), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid
Property Insights of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid
The XLogP value of 1.5315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Benzoylpiperazin-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-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid?
The CAS number of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid is 447411-92-9.
What is the molecular formula of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular formula of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid is C18H18N2O5S.
What is the molecular weight of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid?
The molecular weight of 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid is 374.09 g/mol.
Where can I buy 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid?
You can request a quote for 3-[(4-Benzoylpiperazin-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-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Benzoylpiperazin-1-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.