2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide
TL;DR: 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide (CAS 97514-28-8) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methyl-1-oxo-6-phenyl-1,2,4,6-thiatriazinane-3,5-dione
Also Known As: 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide, 2-tert-butyl-4-methyl-1-oxo-6-phenyl-1,2,4,6-thiatriazinane-3,5-dione, 2-tert-Butyl-4-methyl-6-phenyl-1lambda~4~,2,4,6-thiatriazinane-1,3,5-trione
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 97514-28-8 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)N(C(=O)N(S1=O)C2=CC=CC=C2)C |
| InChIKey | CFFOZESOYKGFEO-UHFFFAOYSA-N |
Product Overview
2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide (CAS 97514-28-8), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 2-tert-butyl-4-methyl-1-oxo-6-phenyl-1,2,4,6-thiatriazinane-3,5-dione.
Chemical Property Profile of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide
Property Insights of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide. Following Lipinski's Rule of Five, 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide has 0 hydrogen bond donor(s) and 4 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 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide?
The CAS number of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide is 97514-28-8.
What is the molecular formula of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide?
The molecular formula of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide is C13H17N3O3S.
What is the molecular weight of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide?
The molecular weight of 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide is 295.10 g/mol.
Where can I buy 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide?
You can request a quote for 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.