![2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine structure](/static/products/5776/577696-14-1.webp)
2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine
TL;DR: 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine (CAS 577696-14-1) is a chemical compound with molecular formula C20H23N5S and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine, 2-(4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine, 3-{[4-(tert-butyl)phenyl]methylthio}-4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazo le, 2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)pyrazine
| Molecular Formula | C20H23N5S |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 4.5109 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.16742 |
| Heavy Atoms | 26 |
| Complexity | 863.4672 |
Chemical Identifiers
| CAS Number | 577696-14-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=NC=CN=C3 |
Product Overview
2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine (CAS 577696-14-1), with molecular formula C20H23N5S and molecular weight 365.17 g/mol. IUPAC: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine
Property Insights of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine
The XLogP value of 4.5109 indicates that 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-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-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-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-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-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-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine?
The CAS number of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine is 577696-14-1.
What is the molecular formula of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine?
The molecular formula of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine is C20H23N5S.
What is the molecular weight of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine?
The molecular weight of 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine is 365.17 g/mol.
Where can I buy 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine?
You can request a quote for 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-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-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.