TL;DR: Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, iodide (CAS 63977-51-5) is a chemical compound with molecular formula C11H18INO and molecular weight 307.0433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxyphenyl)-dimethyl-propan-2-ylazanium iodide
Also Known As: Ro 2-3662, (3-Hydroxyphenyl)isopropyldimethylammonium iodide, (3-hydroxyphenyl)-dimethyl-propan-2-ylazanium iodide, AMMONIUM, DIMETHYL(3-HYDROXYPHENYL)ISOPROPYL-, IODIDE, Benzenaminium, 3-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide
| Molecular Formula | C11H18INO |
| Molecular Weight | 307.0433 g/mol |
| XLogP | -0.63 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0433 Da |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| SMILES | CC(C)[N+](C)(C)C1=CC(=CC=C1)O.[I-] |
| InChIKey | YWPJUNSZBYZRBF-UHFFFAOYSA-N |
The XLogP value of -0.63 indicates that Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, 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, dimethyl(3-hydroxyphenyl)isopropyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, 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, dimethyl(3-hydroxyphenyl)isopropyl-, iodide is 63977-51-5.
The molecular formula of Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, iodide is C11H18INO.
The molecular weight of Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, iodide is 307.0433 g/mol.
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