![2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole structure](/static/products/6802/680214-92-0.webp)
2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole
TL;DR: 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole (CAS 680214-92-0) is a chemical compound with molecular formula C25H13Cl4F6N7S and molecular weight 696.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]tetrazole
Also Known As: 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole, 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trif, 5-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(3,4-dichlorophenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrazole
| Molecular Formula | C25H13Cl4F6N7S |
|---|---|
| Molecular Weight | 696.96 g/mol |
| LogP | 8.9126 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.9611 |
| Heavy Atoms | 43 |
| Complexity | 1753.4198 |
Chemical Identifiers
| CAS Number | 680214-92-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CN4N=C(N=N4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl |
Product Overview
2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole (CAS 680214-92-0), with molecular formula C25H13Cl4F6N7S and molecular weight 696.96 g/mol. IUPAC: 5-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]tetrazole.
Chemical Property Profile of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole
Property Insights of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole
The XLogP value of 8.9126 indicates that 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole. Following Lipinski's Rule of Five, 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole?
The CAS number of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole is 680214-92-0.
What is the molecular formula of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole?
The molecular formula of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole is C25H13Cl4F6N7S.
What is the molecular weight of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole?
The molecular weight of 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole is 696.96 g/mol.
Where can I buy 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole?
You can request a quote for 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.