![2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine structure](/static/products/899/899395-99-4.png)
2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
TL;DR: 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine (CAS 899395-99-4) is a chemical compound with molecular formula C22H21N5S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine, 2-(5-((3,4-dimethylbenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-{5-[(3,4-dimethylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine, 3-[(3,4-dimethylphenyl)methylthio]-4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-tri azole, 2-(5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyrazine
| Molecular Formula | C22H21N5S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 4.94186 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.15176 |
| Heavy Atoms | 28 |
| Complexity | 1087.8776 |
Chemical Identifiers
| CAS Number | 899395-99-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4=NC=CN=C4 |
Product Overview
2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine (CAS 899395-99-4), with molecular formula C22H21N5S and molecular weight 387.15 g/mol. IUPAC: 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
Property Insights of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
The XLogP value of 4.94186 indicates that 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-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-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-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-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-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-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine?
The CAS number of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine is 899395-99-4.
What is the molecular formula of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine?
The molecular formula of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine is C22H21N5S.
What is the molecular weight of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine?
The molecular weight of 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine is 387.15 g/mol.
Where can I buy 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine?
You can request a quote for 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-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-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.