TL;DR: Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide (CAS 63951-23-5) is a chemical compound with molecular formula C15H28I2N2 and molecular weight 490.03418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-[4-(trimethylazaniumyl)phenyl]propyl]azanium diiodide
Also Known As: M & B 2034, AMMONIUM, (3-(p-TRIMETHYLAMMONIOPHENYL)PROPYL)TRIMETHYL-, DIIODIDE, trimethyl-[3-[4-(trimethylazaniumyl)phenyl]propyl]azanium;diiodide, N,N,N-Trimethyl-4-[3-(trimethylazaniumyl)propyl]anilinium diiodide, trimethyl-[3-[4-(trimethylazaniumyl)phenyl]propyl]azanium diiodide
| Molecular Formula | C15H28I2N2 |
| Molecular Weight | 490.03418 g/mol |
| XLogP | -3.47 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.03418 Da |
| Heavy Atoms | 19 |
| Complexity | 214.0 |
| SMILES | C[N+](C)(C)CCCC1=CC=C(C=C1)[N+](C)(C)C.[I-].[I-] |
| InChIKey | YIGNINFAAFTVJS-UHFFFAOYSA-L |
The XLogP value of -3.47 indicates that Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide 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, Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide is 63951-23-5.
The molecular formula of Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide is C15H28I2N2.
The molecular weight of Ammonium, (3-(p-trimethylammoniophenyl)propyl)trimethyl-, diiodide is 490.03418 g/mol.
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