TL;DR: 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- (CAS 154371-21-8) is a chemical compound with molecular formula C16H9FN4OS and molecular weight 324.0481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Also Known As: 2-((4-Fluorophenyl)amino)-4H-1,3-thiazino(5,6-b)quinoxalin-4-one, 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)-, 2-((4-Fluorophenyl)amino)-4H-[1,3]thiazino[5,6-b]quinoxalin-4-one, 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one, 2-(4-Fluoroanilino)-4H-[1,3]thiazino[5,6-b]quinoxalin-4-one
| Molecular Formula | C16H9FN4OS |
| Molecular Weight | 324.0481 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0481 Da |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
| SMILES | C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)F |
| InChIKey | AZTPBRQBOWJXSU-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)-. Following Lipinski's Rule of Five, 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- is 154371-21-8.
The molecular formula of 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- is C16H9FN4OS.
The molecular weight of 4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)- is 324.0481 g/mol.
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