![3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine structure](/static/products/799/799809-77-1.png)
3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 799809-77-1) is a chemical compound with molecular formula C21H18N4S and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 3-(5-((3-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 3-[(3-methylphenyl)methylthio]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole, 3-{5-[(3-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine, 3-[5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C21H18N4S |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.93002 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1252 |
| Heavy Atoms | 26 |
| Complexity | 996.9719 |
Chemical Identifiers
| CAS Number | 799809-77-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 799809-77-1), with molecular formula C21H18N4S and molecular weight 358.13 g/mol. IUPAC: 3-[5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 4.93002 indicates that 3-(5-{[(3-methylphenyl)methyl]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 43.6 Ų, 3-(5-{[(3-methylphenyl)methyl]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, 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 4 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 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 799809-77-1.
What is the molecular formula of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is C21H18N4S.
What is the molecular weight of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 358.13 g/mol.
Where can I buy 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 3-(5-{[(3-methylphenyl)methyl]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 3-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{[(3-methylphenyl)methyl]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.