3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
TL;DR: 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 896077-16-0) is a chemical compound with molecular formula C25H23F2N3O2S and molecular weight 467.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole
Also Known As: 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-ethoxyphenyl)(1,2,4-triazol-3-yl)} methoxy)-4-methylbenzene, 3-[(2,6-difluorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole, 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole
| Molecular Formula | C25H23F2N3O2S |
|---|---|
| Molecular Weight | 467.15 g/mol |
| LogP | 6.12392 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.14792 |
| Heavy Atoms | 33 |
| Complexity | 1191.3115 |
Chemical Identifiers
| CAS Number | 896077-16-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)COC4=CC=C(C=C4)C |
Product Overview
3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 896077-16-0), with molecular formula C25H23F2N3O2S and molecular weight 467.15 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole.
Chemical Property Profile of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
Property Insights of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
The XLogP value of 6.12392 indicates that 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-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 49.17 Ų, 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole 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-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The CAS number of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 896077-16-0.
What is the molecular formula of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular formula of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is C25H23F2N3O2S.
What is the molecular weight of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular weight of 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 467.15 g/mol.
Where can I buy 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
You can request a quote for 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-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-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-difluorobenzyl)thio)-4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.