TL;DR: 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine (CAS 499124-51-5) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine, 3-methoxy-1-{[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]methyl} benzene, 4-(5-((3-methoxybenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-{5-[(3-methoxybenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C22H20N4OS |
| Molecular Weight | 388.13577 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.13577 Da |
| Heavy Atoms | 28 |
| Complexity | 467.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=CC=NC=C4 |
| InChIKey | NSSDIBBQBBMILA-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-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.
The CAS number of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is 499124-51-5.
The molecular formula of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is C22H20N4OS.
The molecular weight of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is 388.13577 g/mol.
You can request a quote for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Yes, CoreyChem provides custom synthesis services for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Request a quote for CAS 499124-51-5. Our professional technical team will respond with pricing and lead time.