![4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol structure](/static/products/6932/693233-25-9.webp)
4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol (CAS 693233-25-9) is a chemical compound with molecular formula C16H15FN4OS and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: AN-465/41519637, 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol, 4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione, 4-[2-(4-Fluoro-benzyloxy)-benzylamino]-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C16H15FN4OS |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.40249 |
| Topological Polar Surface Area | 54.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.09506 |
| Heavy Atoms | 23 |
| Complexity | 828.35156 |
Chemical Identifiers
| CAS Number | 693233-25-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNN2C=NNC2=S)OCC3=CC=C(C=C3)F |
Product Overview
4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol (CAS 693233-25-9), with molecular formula C16H15FN4OS and molecular weight 330.10 g/mol. IUPAC: 4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.40249 indicates that 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.87 Ų, 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol has 2 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 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol is 693233-25-9.
What is the molecular formula of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol is C16H15FN4OS.
What is the molecular weight of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol is 330.10 g/mol.
Where can I buy 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-[(4-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.