2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 900281-43-8) is a chemical compound with molecular formula C23H22N4OS and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine, 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 1-{3-[(2,5-dimethylphenyl)methylthio]-5-(2-pyridyl)(1,2,4-triazol-4-yl)}-4-met hoxybenzene, 2-(5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C23H22N4OS |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 5.24704 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.15143 |
| Heavy Atoms | 29 |
| Complexity | 1107.6934 |
Chemical Identifiers
| CAS Number | 900281-43-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=N4 |
Product Overview
2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 900281-43-8), with molecular formula C23H22N4OS and molecular weight 402.15 g/mol. IUPAC: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 5.24704 indicates that 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-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-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-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-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is 900281-43-8.
What is the molecular formula of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is C23H22N4OS.
What is the molecular weight of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is 402.15 g/mol.
Where can I buy 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-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-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((2,5-dimethylbenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.