2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide
TL;DR: 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide (CAS 97514-67-5) is a chemical compound with molecular formula C14H17Cl2N3O3S and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1-oxo-1,2,4,6-thiatriazinane-3,5-dione
Also Known As: 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide, 2-(2,4-dichlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1-oxo-1,2,4,6-thiatriazinane-3,5-dione, 2-(2,4-Dichlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1lambda~4~,2,4,6-thiatriazinane-1,3,5-trione
| Molecular Formula | C14H17Cl2N3O3S |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.03677 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 97514-67-5 |
|---|---|
| SMILES | CCC(C)(C)N1C(=O)N(C(=O)N(S1=O)C2=C(C=C(C=C2)Cl)Cl)C |
| InChIKey | OLSGTCJDEPRXGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide (CAS 97514-67-5), with molecular formula C14H17Cl2N3O3S and molecular weight 377.04 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1-oxo-1,2,4,6-thiatriazinane-3,5-dione.
Chemical Property Profile of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide
Property Insights of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide
The XLogP value of 3.4 indicates that 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide. Following Lipinski's Rule of Five, 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 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-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide?
The CAS number of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide is 97514-67-5.
What is the molecular formula of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide?
The molecular formula of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide is C14H17Cl2N3O3S.
What is the molecular weight of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide?
The molecular weight of 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide is 377.04 g/mol.
Where can I buy 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide?
You can request a quote for 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 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-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(2,4-dichlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.