![3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/4426/442669-15-0.webp)
3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 442669-15-0) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 1-(tert-butyl)-4-{[6-(3-nitrophenyl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin- 3-yl)]methoxy}benzene
Technical Specifications
| Molecular Formula | C21H21N5O3S |
| Molecular Weight | 423.1365 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1365 Da |
| Heavy Atoms | 30 |
| Complexity | 642.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C3N2N=C(CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | PISKMFHQKAUFSR-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 4.9 indicates that 3-[(4-tert-butylphenoxy)methyl]-6-(3-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 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 442669-15-0.
What is the molecular formula of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C21H21N5O3S.
What is the molecular weight of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 423.1365 g/mol.
Where can I buy 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, CoreyChem provides custom synthesis services for 3-[(4-tert-butylphenoxy)methyl]-6-(3-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.