3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid
TL;DR: 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid (CAS 385379-94-2) is a chemical compound with molecular formula C12H16N2O6S2 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: BAS 04850484, 3-((4-(Methylsulfonyl)piperazin-1-yl)sulfonyl)benzoic acid, 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid, 3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoic acid, 3-{[4-(methylsulfonyl)piperazinyl]sulfonyl}benzoic acid
| Molecular Formula | C12H16N2O6S2 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.04498 |
| Heavy Atoms | 22 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 385379-94-2 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O |
| InChIKey | HWMATKYIEQVLMP-UHFFFAOYSA-N |
Product Overview
3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid (CAS 385379-94-2), with molecular formula C12H16N2O6S2 and molecular weight 348.04 g/mol. IUPAC: 3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid
Property Insights of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid
The XLogP value of -0.3 indicates that 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid. Following Lipinski's Rule of Five, 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid has 1 hydrogen bond donor(s) and 8 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-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid?
The CAS number of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid is 385379-94-2.
What is the molecular formula of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid?
The molecular formula of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid is C12H16N2O6S2.
What is the molecular weight of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid?
The molecular weight of 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid is 348.04 g/mol.
Where can I buy 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid?
You can request a quote for 3-(4-Methanesulfonyl-piperazine-1-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-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.