![3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole structure](/static/products/899/899386-54-0.png)
3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole (CAS 899386-54-0) is a chemical compound with molecular formula C22H18FN3OS and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole, 3-((3-fluorobenzyl)thio)-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole, 1-{5-[(3-fluorophenyl)methylthio]-4-phenyl(1,2,4-triazol-3-yl)}-2-methoxybenze ne, 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole, 3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C22H18FN3OS |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 5.3743 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.11545 |
| Heavy Atoms | 28 |
| Complexity | 1082.1042 |
Chemical Identifiers
| CAS Number | 899386-54-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)F |
Product Overview
3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole (CAS 899386-54-0), with molecular formula C22H18FN3OS and molecular weight 391.12 g/mol. IUPAC: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 5.3743 indicates that 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-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 39.94 Ų, 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is 899386-54-0.
What is the molecular formula of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is C22H18FN3OS.
What is the molecular weight of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is 391.12 g/mol.
Where can I buy 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-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-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.