5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione
TL;DR: 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione (CAS 852916-96-2) is a chemical compound with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione
Also Known As: 5-[(4-benzylpiperazin-1-yl)sulfonyl]pyridine-2-thiol, 5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione, 5-(4-benzylpiperazine-1-sulfonyl)pyridine-2-thiol, 5-(4-Benzylpiperazine-1-sulfonyl)pyridine-2(1H)-thione, 5-[[4-(Phenylmethyl)-1-piperazinyl]sulfonyl]-2(1H)-pyridinethione
| Molecular Formula | C16H19N3O2S2 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 2.25069 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09186 |
| Heavy Atoms | 23 |
| Complexity | 790.22394 |
Chemical Identifiers
| CAS Number | 852916-96-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CNC(=S)C=C3 |
Product Overview
5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione (CAS 852916-96-2), with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione.
Chemical Property Profile of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione
Property Insights of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione
The XLogP value of 2.25069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione. With a topological polar surface area (TPSA) of 56.41 Ų, 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione 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 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione?
The CAS number of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione is 852916-96-2.
What is the molecular formula of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione?
The molecular formula of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione is C16H19N3O2S2.
What is the molecular weight of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione?
The molecular weight of 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione is 349.09 g/mol.
Where can I buy 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione?
You can request a quote for 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-(Phenylmethyl)-1-piperazinyl)sulfonyl)-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.