![1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine structure](/static/products/880/880418-22-4.png)
1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine
TL;DR: 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine (CAS 880418-22-4) is a chemical compound with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
Also Known As: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone|1-(4-methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine|MLS001177104|SMR000591777|EN300-26599288
| Molecular Formula | C18H21N3O3S2 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 2.25862 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.10245 |
| Heavy Atoms | 26 |
| Complexity | 890.1523 |
Chemical Identifiers
| CAS Number | 880418-22-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC |
Product Overview
1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine (CAS 880418-22-4), with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol. IUPAC: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
Chemical Property Profile of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine
Property Insights of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine
The XLogP value of 2.25862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine. Following Lipinski's Rule of Five, 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine has 0 hydrogen bond donor(s) and 5 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 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine?
The CAS number of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine is 880418-22-4.
What is the molecular formula of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine?
The molecular formula of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine is C18H21N3O3S2.
What is the molecular weight of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine?
The molecular weight of 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine is 391.10 g/mol.
Where can I buy 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine?
You can request a quote for 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzenesulfonyl)-4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.