![3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/879/879758-70-0.png)
3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 879758-70-0) is a chemical compound with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(tert-butyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-tert-butyl-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H13N5O2S |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 3.0585 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.079 |
| Heavy Atoms | 21 |
| Complexity | 813.3146 |
Chemical Identifiers
| CAS Number | 879758-70-0 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C2N1N=C(S2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 879758-70-0), with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol. IUPAC: 3-tert-butyl-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.0585 indicates that 3-Tert-butyl-6-(4-nitrophenyl)[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 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-Tert-butyl-6-(4-nitrophenyl)[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-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 879758-70-0.
What is the molecular formula of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C13H13N5O2S.
What is the molecular weight of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 303.08 g/mol.
Where can I buy 3-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-Tert-butyl-6-(4-nitrophenyl)[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-Tert-butyl-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-6-(4-nitrophenyl)[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.