TL;DR: Malouetine (CAS 10357-25-2) is a chemical compound with molecular formula C27H52I2N2 and molecular weight 658.222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-[(1S)-1-(trimethylazaniumyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethylazanium diiodide
Also Known As: Malouetine, Malouetin, KST-1A0396, KST-1A0397, [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-[(1S)-1-(trimethylazaniumyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethylazanium;diiodide
| Molecular Formula | C27H52I2N2 |
| Molecular Weight | 658.222 g/mol |
| XLogP | -0.1772 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 658.222 Da |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
| SMILES | C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)[N+](C)(C)C)C)C)[N+](C)(C)C.[I-].[I-] |
| InChIKey | ZKPCQHGEQUQGJK-NJRMFZBNSA-L |
The XLogP value of -0.1772 indicates that Malouetine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Malouetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malouetine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Malouetine is 10357-25-2.
The molecular formula of Malouetine is C27H52I2N2.
The molecular weight of Malouetine is 658.222 g/mol.
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