TL;DR: 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one (CAS 1024595-52-5) is a chemical compound with molecular formula C11H9F3N2OS and molecular weight 274.03876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(trifluoromethyl)-1,3,3a,5-tetrahydro-[1,3]thiazolo[3,4-a]quinoxalin-4-one
Also Known As: 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one, 12W-0268, 7-(trifluoromethyl)-1,3,3a,5-tetrahydro-[1,3]thiazolo[3,4-a]quinoxalin-4-one, 7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one, 7-(trifluoromethyl)-1,3,3a,5-tetrahydrothiazolo[3,4-a]quinoxalin-4-one
| Molecular Formula | C11H9F3N2OS |
| Molecular Weight | 274.03876 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.03876 Da |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
| SMILES | C1C2C(=O)NC3=C(N2CS1)C=CC(=C3)C(F)(F)F |
| InChIKey | HYHVNONLWWIWBC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one. With a topological polar surface area (TPSA) of 57.6 Ų, 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is 1024595-52-5.
The molecular formula of 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is C11H9F3N2OS.
The molecular weight of 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is 274.03876 g/mol.
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