TL;DR: Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide (CAS 27958-43-6) is a chemical compound with molecular formula C12H20INO and molecular weight 321.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)propyl-trimethylazanium iodide
Also Known As: (3-(p-Hydroxyphenyl)propyl)trimethylammonium iodide, Dimethyl-gamma-(4-hydroxyphenyl)-n-propylamine, 3-(4-hydroxyphenyl)propyl-trimethylazanium iodide, Benzenepropanaminium, 4-hydroxy-N,N,N-trimethyl-, iodide, AMMONIUM, (3-(p-HYDROXYPHENYL)PROPYL)TRIMETHYL-, IODIDE
| Molecular Formula | C12H20INO |
| Molecular Weight | 321.05896 g/mol |
| XLogP | -0.96 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.05896 Da |
| Heavy Atoms | 15 |
| Complexity | 154.0 |
| SMILES | C[N+](C)(C)CCCC1=CC=C(C=C1)O.[I-] |
| InChIKey | BVSZXTDXKQADJN-UHFFFAOYSA-N |
The XLogP value of -0.96 indicates that Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide has 1 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-hydroxyphenyl)propyl)trimethyl-, iodide is 27958-43-6.
The molecular formula of Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide is C12H20INO.
The molecular weight of Ammonium, (3-(p-hydroxyphenyl)propyl)trimethyl-, iodide is 321.05896 g/mol.
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