![3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/714/714232-95-8.png)
3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 714232-95-8) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-(tert-butyl)phenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 4.5089 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1063.4707 |
Chemical Identifiers
| CAS Number | 714232-95-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 714232-95-8), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 4.5089 indicates that 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 714232-95-8.
What is the molecular formula of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C20H19N5O2S.
What is the molecular weight of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 393.13 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.