TL;DR: 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one (CAS 1009240-54-3) is a chemical compound with molecular formula C13H13F3N2O and molecular weight 270.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
Also Known As: Bionet2_001641, 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one, 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one, 4X-0290, 3-(trifluoromethyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one
| Molecular Formula | C13H13F3N2O |
| Molecular Weight | 270.098 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.098 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | C1CCN2C(C1)C(=O)NC3=C2C=CC(=C3)C(F)(F)F |
| InChIKey | ALVHALYHZSSJEM-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one 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 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one is 1009240-54-3.
The molecular formula of 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one is C13H13F3N2O.
The molecular weight of 3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one is 270.098 g/mol.
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