![2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/896/896857-22-0.png)
2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine (CAS 896857-22-0) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-[5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine, 2-(5-((4-methoxybenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 2-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine, 4-methoxy-1-[(4-phenyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))methyl]benzene
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.6302 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1001.55817 |
Chemical Identifiers
| CAS Number | 896857-22-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4 |
Product Overview
2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine (CAS 896857-22-0), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 2-[5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 4.6302 indicates that 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine 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-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine is 896857-22-0.
What is the molecular formula of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine is C21H18N4OS.
What is the molecular weight of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine is 374.12 g/mol.
Where can I buy 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine 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-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.