TL;DR: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride (CAS 1071679-73-6) is a chemical compound with molecular formula C16H16Cl2N2OS and molecular weight 354.03604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride
Also Known As: 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride, 1-(2-chlorophenothiazin-10-yl)-2-dimethylamino-ethanone Hydrochloride, [2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]dimethylamine hydrochloride, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride
| Molecular Formula | C16H16Cl2N2OS |
| Molecular Weight | 354.03604 g/mol |
| XLogP | 4.4527 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.03604 Da |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
| SMILES | CN(C)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl |
| InChIKey | IFSUMCFWIQREDA-UHFFFAOYSA-N |
The XLogP value of 4.4527 indicates that 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride is 1071679-73-6.
The molecular formula of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride is C16H16Cl2N2OS.
The molecular weight of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride is 354.03604 g/mol.
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