TL;DR: 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- (CAS 118788-44-6) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
Also Known As: 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)-, 3-(3-t-Butyl-5-methyl-4-hydroxyphenyl)-7H-thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-Dimethylethyl)-4-hydroxy-5-methylphenyl)-7H-thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one, 3-(3-tert-Butyl-4-hydroxy-5-methylphenyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
| Molecular Formula | C16H17N3O2S |
| Molecular Weight | 315.10416 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10416 Da |
| Heavy Atoms | 22 |
| Complexity | 576.0 |
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C2=CSC3=NC(=O)C=NN23 |
| InChIKey | QZFJTISVGGBBGA-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)-. Following Lipinski's Rule of Five, 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- is 118788-44-6.
The molecular formula of 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- is C16H17N3O2S.
The molecular weight of 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)- is 315.10416 g/mol.
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