![2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/6763/676334-42-2.webp)
2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine (CAS 676334-42-2) is a chemical compound with molecular formula C15H13FN4S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine, 2-(5-((4-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine, 2-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C15H13FN4S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0845 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 676334-42-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC=CC=N3 |
| InChIKey | LVZXRUSINGHVSR-UHFFFAOYSA-N |
Product Overview
2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine (CAS 676334-42-2), with molecular formula C15H13FN4S and molecular weight 300.08 g/mol. IUPAC: 2-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine. Following Lipinski's Rule of Five, 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-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 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine is 676334-42-2.
What is the molecular formula of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine is C15H13FN4S.
What is the molecular weight of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine is 300.08 g/mol.
Where can I buy 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-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-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.