![6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/578/578736-50-2.png)
6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 578736-50-2) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-tert-butylphenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-tert-butylphenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-tert-butylphenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-{6-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-3-yl)}-3-e thoxybenzene
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 5.216 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 1073.7063 |
Chemical Identifiers
| CAS Number | 578736-50-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 578736-50-2), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: 6-(4-tert-butylphenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 5.216 indicates that 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[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 52.31 Ų, 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[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, 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 578736-50-2.
What is the molecular formula of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C21H22N4OS.
What is the molecular weight of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 378.15 g/mol.
Where can I buy 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[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 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-(tert-butyl)phenyl)-3-(3-ethoxyphenyl)-[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.