![3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/843/843616-95-5.png)
3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 843616-95-5) is a chemical compound with molecular formula C20H20N4S and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[4-(tert-butyl)phenyl]-6-(2-methylphenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadia zoline
| Molecular Formula | C20H20N4S |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 5.12572 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.14087 |
| Heavy Atoms | 25 |
| Complexity | 1035.6868 |
Chemical Identifiers
| CAS Number | 843616-95-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 843616-95-5), with molecular formula C20H20N4S and molecular weight 348.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 5.12572 indicates that 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 843616-95-5.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C20H20N4S.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 348.14 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.