TL;DR: Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide (CAS 102571-28-8) is a chemical compound with molecular formula C18H23IN2OS and molecular weight 442.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium iodide
Also Known As: Dimethyl (2-hydroxyethyl)-(2-phenothiazin-10-ylethyl)ammonium iodide, AMMONIUM, DIMETHYL(2-HYDROXYETHYL)(2-(10-PHENOTHIAZINYL)ETHYL)-, IODIDE, 2-hydroxyethyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium;iodide, 10H-Phenothiazine-10-ethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1), 2-hydroxyethyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium iodide
| Molecular Formula | C18H23IN2OS |
| Molecular Weight | 442.0576 g/mol |
| XLogP | 0.36 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0576 Da |
| Heavy Atoms | 23 |
| Complexity | 341.0 |
| SMILES | C[N+](C)(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCO.[I-] |
| InChIKey | IMRPLALOWVCIRL-UHFFFAOYSA-M |
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide. With a topological polar surface area (TPSA) of 48.8 Ų, Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide has 1 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 Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide is 102571-28-8.
The molecular formula of Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide is C18H23IN2OS.
The molecular weight of Ammonium, dimethyl(2-hydroxyethyl)(2-(10-phenothiazinyl)ethyl)-, iodide is 442.0576 g/mol.
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