![3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/902/902045-37-8.png)
3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 902045-37-8) is a chemical compound with molecular formula C20H19N7S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113295, 1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole, 1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole, 1-{[6-(4-TERT-BUTYLPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]METHYL}-1H-1,2,3-BENZOTRIAZOLE
| Molecular Formula | C20H19N7S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.9433 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.14227 |
| Heavy Atoms | 28 |
| Complexity | 1271.6295 |
Chemical Identifiers
| CAS Number | 902045-37-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 |
Product Overview
3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 902045-37-8), with molecular formula C20H19N7S and molecular weight 389.14 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.9433 indicates that 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[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 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[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 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 902045-37-8.
What is the molecular formula of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C20H19N7S.
What is the molecular weight of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 389.14 g/mol.
Where can I buy 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[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-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[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.