![2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine structure](/static/products/899/899389-45-8.png)
2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
TL;DR: 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CAS 899389-45-8) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine, 2-(5-(((tetrahydro-2H-pyran-2-yl)methyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyridine, 2-{4-(4-methylphenyl)-5-[(tetrahydro-2H-pyran-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.29892 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 842.00757 |
Chemical Identifiers
| CAS Number | 899389-45-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=N4 |
Product Overview
2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CAS 899389-45-8), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
Property Insights of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
The XLogP value of 4.29892 indicates that 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-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-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-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-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The CAS number of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is 899389-45-8.
What is the molecular formula of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is C20H22N4OS.
What is the molecular weight of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is 366.15 g/mol.
Where can I buy 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-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-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.