TL;DR: 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- (CAS 118788-54-8) is a chemical compound with molecular formula C20H25N3O2S and molecular weight 371.16675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-[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-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl-, 3-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
| Molecular Formula | C20H25N3O2S |
| Molecular Weight | 371.16675 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.16675 Da |
| Heavy Atoms | 26 |
| Complexity | 673.0 |
| SMILES | CC1=NN2C(=CSC2=NC1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | WMQKSCGGRNJZHM-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- 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-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl-. Following Lipinski's Rule of Five, 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- 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-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- is 118788-54-8.
The molecular formula of 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- is C20H25N3O2S.
The molecular weight of 7H-Thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-methyl- is 371.16675 g/mol.
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