![3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole structure](/static/products/896/896591-99-4.png)
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
TL;DR: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole (CAS 896591-99-4) is a chemical compound with molecular formula C22H16F3N3OS and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole, 3-((2,6-difluorobenzyl)thio)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 1-{5-[(2,6-difluorophenyl)methylthio]-3-(2-fluorophenyl)(1,2,4-triazol-4-yl)}- 4-methoxybenzene, 3-[(2,6-difluorobenzyl)sulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C22H16F3N3OS |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 5.6525 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.09662 |
| Heavy Atoms | 30 |
| Complexity | 1158.4738 |
Chemical Identifiers
| CAS Number | 896591-99-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)C4=CC=CC=C4F |
Product Overview
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole (CAS 896591-99-4), with molecular formula C22H16F3N3OS and molecular weight 427.10 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
Property Insights of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
The XLogP value of 5.6525 indicates that 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-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-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-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-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole?
The CAS number of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole is 896591-99-4.
What is the molecular formula of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole?
The molecular formula of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole is C22H16F3N3OS.
What is the molecular weight of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole?
The molecular weight of 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole is 427.10 g/mol.
Where can I buy 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole?
You can request a quote for 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-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)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.