![4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole structure](/static/products/5776/577696-67-4.webp)
4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
TL;DR: 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole (CAS 577696-67-4) is a chemical compound with molecular formula C16H17N5S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
Also Known As: 4-ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole, 2-(4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyrazine, 2-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine, 2-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
| Molecular Formula | C16H17N5S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.12045 |
| Heavy Atoms | 22 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 577696-67-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NC=CN=C3 |
| InChIKey | HZEMEMICLLNKJP-UHFFFAOYSA-N |
Product Overview
4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole (CAS 577696-67-4), with molecular formula C16H17N5S and molecular weight 311.12 g/mol. IUPAC: 2-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
Property Insights of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole. Following Lipinski's Rule of Five, 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole 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 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The CAS number of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is 577696-67-4.
What is the molecular formula of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The molecular formula of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is C16H17N5S.
What is the molecular weight of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The molecular weight of 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is 311.12 g/mol.
Where can I buy 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
You can request a quote for 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3-[(4-methylphenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.