3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 477331-03-6) is a chemical compound with molecular formula C22H19FN4OS and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-{4-(4-ethoxyphenyl)-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 3-[4-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 650-494-2
| Molecular Formula | C22H19FN4OS |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 5.1594 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.12637 |
| Heavy Atoms | 29 |
| Complexity | 1083.6848 |
Chemical Identifiers
| CAS Number | 477331-03-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)C4=CN=CC=C4 |
Product Overview
3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 477331-03-6), with molecular formula C22H19FN4OS and molecular weight 406.13 g/mol. IUPAC: 3-[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 5.1594 indicates that 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)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-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)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-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-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 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 477331-03-6.
What is the molecular formula of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is C22H19FN4OS.
What is the molecular weight of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 406.13 g/mol.
Where can I buy 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)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-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.