TL;DR: 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- (CAS 156213-25-1) is a chemical compound with molecular formula C24H25F3N2OS and molecular weight 446.16397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
Also Known As: 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)-, (1S-trans)-10-((Octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-10H-phenothiazine, 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone, 10H-Phenothiazine,10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-,(1S-trans), 10H-Phenothiazine,10-[(octahydro-2H-quinolizin-1-yl)acetyl]-2-(trifluoromethyl)-, (1S-trans)-(9CI)
| Molecular Formula | C24H25F3N2OS |
| Molecular Weight | 446.16397 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.16397 Da |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F |
| InChIKey | AFWFJJVBHZOUEX-FUHWJXTLSA-N |
The XLogP value of 5.5 indicates that 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- is 156213-25-1.
The molecular formula of 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- is C24H25F3N2OS.
The molecular weight of 10H-Phenothiazine, 10-((octahydro-2H-quinolizin-1-yl)acetyl)-2-(trifluoromethyl)-, (1S-trans)- is 446.16397 g/mol.
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