TL;DR: RefChem:228792 (CAS 77587-78-1) is a chemical compound with molecular formula C22H27IN4O and molecular weight 490.12296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
Also Known As: 1-(N-(2-Imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-1-butanol hydriodide, 1-Butanol, 1-(N-(2-imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-, hydriodide, 4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
| Molecular Formula | C22H27IN4O |
| Molecular Weight | 490.12296 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.12296 Da |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
| SMILES | CCCC([NH+](CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C4=NCCN4)O.[I-] |
| InChIKey | RDLSOVZCNDYWKO-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that RefChem:228792 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228792. Following Lipinski's Rule of Five, RefChem:228792 has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:228792 is 77587-78-1.
The molecular formula of RefChem:228792 is C22H27IN4O.
The molecular weight of RefChem:228792 is 490.12296 g/mol.
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