TL;DR: 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one (CAS 156213-22-8) is a chemical compound with molecular formula C24H28N2O2S and molecular weight 408.18716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-(2-methoxyphenothiazin-10-yl)ethanone
Also Known As: (1S-trans)-2-Methoxy-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine, 5-chloro-1-methyl-1h-benzoimidazole-2-carbaldehyde, 10H-Phenothiazine, 2-methoxy-10-((octahydro-2H-quinolizin-1-yl)acetyl)-, (1S-trans)-, 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one, 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-[(1S)-octahydro-2H-quinolizin-1-yl]ethan-1-one
| Molecular Formula | C24H28N2O2S |
| Molecular Weight | 408.18716 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.18716 Da |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[C@@H]4CCCN5C4CCCC5 |
| InChIKey | RWBZLDHRVNXFQH-KKFHFHRHSA-N |
The XLogP value of 4.6 indicates that 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one has 0 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 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one is 156213-22-8.
The molecular formula of 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one is C24H28N2O2S.
The molecular weight of 1-(2-Methoxy-10H-phenothiazin-10-yl)-2-(octahydro-2H-quinolizin-1-yl)ethan-1-one is 408.18716 g/mol.
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