![6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/577/577981-39-6.png)
6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 577981-39-6) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 4-{6-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-3-yl)}-1,2 -dimethoxybenzene, 6-(4-(tert-butyl)phenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.8345 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1123.722 |
Chemical Identifiers
| CAS Number | 577981-39-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)OC)OC |
Product Overview
6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 577981-39-6), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.8345 indicates that 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 577981-39-6.
What is the molecular formula of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C21H22N4O2S.
What is the molecular weight of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 394.15 g/mol.
Where can I buy 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[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-butylphenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)-[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.