3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 587009-53-8) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 1-[(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))methyl]-4-methoxybenzene, 3-(4-ethyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 649-316-6
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.6609 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 756.02435 |
Chemical Identifiers
| CAS Number | 587009-53-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)OC)C3=CN=CC=C3 |
Product Overview
3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 587009-53-8), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 3-[4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 3.6609 indicates that 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-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, 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-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-(4-Ethyl-5-((4-methoxybenzyl)thio)-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 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 587009-53-8.
What is the molecular formula of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is C17H18N4OS.
What is the molecular weight of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 326.12 g/mol.
Where can I buy 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-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-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.