2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine
TL;DR: 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine (CAS 586992-51-0) is a chemical compound with molecular formula C17H19N5S and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyrazine, 3-[(2,5-dimethylphenyl)methylthio]-4-ethyl-5-pyrazin-2-yl-1,2,4-triazole, 2-(5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyrazine, 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyrazine
| Molecular Formula | C17H19N5S |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 3.66414 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1361 |
| Heavy Atoms | 23 |
| Complexity | 797.99835 |
Chemical Identifiers
| CAS Number | 586992-51-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)C)C3=NC=CN=C3 |
Product Overview
2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine (CAS 586992-51-0), with molecular formula C17H19N5S and molecular weight 325.14 g/mol. IUPAC: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine
Property Insights of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine
The XLogP value of 3.66414 indicates that 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine 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 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine?
The CAS number of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine is 586992-51-0.
What is the molecular formula of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine?
The molecular formula of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine is C17H19N5S.
What is the molecular weight of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine?
The molecular weight of 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine is 325.14 g/mol.
Where can I buy 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine?
You can request a quote for 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((2,5-Dimethylbenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.