TL;DR: (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine (CAS 156213-26-2) is a chemical compound with molecular formula C25H28N2O2S and molecular weight 420.18716 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-acetylphenothiazin-10-yl)ethanone
Also Known As: (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine, 10H-Phenothiazine, 2-acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-, (1S-trans)-, 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-(2-acetylphenothiazin-10-yl)ethanone, 10H-Phenothiazine,2-acetyl-10-[(octahydro-2H-quinolizin-1-yl)acetyl]-, (1S-trans)- (9CI), 1-(2-Acetyl-10H-phenothiazin-10-yl)-2-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]ethan-1-one
| Molecular Formula | C25H28N2O2S |
| Molecular Weight | 420.18716 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.18716 Da |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| SMILES | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[C@@H]4CCCN5[C@@H]4CCCC5 |
| InChIKey | GHGWVUOGBBUVSC-VQTJNVASSA-N |
The XLogP value of 4.3 indicates that (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine. Following Lipinski's Rule of Five, (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine 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 (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine is 156213-26-2.
The molecular formula of (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine is C25H28N2O2S.
The molecular weight of (1S-trans)-2-Acetyl-10-((octahydro-2H-quinolizin-1-yl)acetyl)-10H-phenothiazine is 420.18716 g/mol.
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