![3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole structure](/static/products/5855/585550-68-1.webp)
3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole
TL;DR: 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole (CAS 585550-68-1) is a chemical compound with molecular formula C16H14F2N4S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[(2,6-difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole, 2-(5-((2,6-difluorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine, 2-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine, 2-{5-[(2,6-difluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C16H14F2N4S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.9305 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.09073 |
| Heavy Atoms | 23 |
| Complexity | 784.84485 |
Chemical Identifiers
| CAS Number | 585550-68-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2F)F)C3=CC=CC=N3 |
Product Overview
3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole (CAS 585550-68-1), with molecular formula C16H14F2N4S and molecular weight 332.09 g/mol. IUPAC: 2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole
Property Insights of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole
The XLogP value of 3.9305 indicates that 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole 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-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole 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-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole?
The CAS number of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole is 585550-68-1.
What is the molecular formula of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular formula of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole is C16H14F2N4S.
What is the molecular weight of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular weight of 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole is 332.09 g/mol.
Where can I buy 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole?
You can request a quote for 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-Difluorophenyl)methylthio]-4-ethyl-5-(2-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.