TL;DR: RefChem:319406 (CAS 63957-50-6) is a chemical compound with molecular formula C15H36Br2N2O and molecular weight 418.11945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]-propylazanium dibromide
Also Known As: AS-13,570, Ammonium, N,N-diethyl-N',N'-dimethyl-N'-ethyl-N-propyl-N,N'-oxydiethylenedi-, dibromide, 1-Propanaminium, N,N-diethyl-N-[2-[2-(ethyldimethylammonio)ethoxy]ethyl]-, dibromide, diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]-propylazanium dibromide, N,N-Diethyl-N-(2-{2-[ethyl(dimethyl)azaniumyl]ethoxy}ethyl)propan-1-aminium dibromide
| Molecular Formula | C15H36Br2N2O |
| Molecular Weight | 418.11945 g/mol |
| XLogP | -3.63 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 420.1174 Da |
| Heavy Atoms | 20 |
| Complexity | 201.0 |
| SMILES | CCC[N+](CC)(CC)CCOCC[N+](C)(C)CC.[Br-].[Br-] |
| InChIKey | KWOZLQNORHAQOY-UHFFFAOYSA-L |
The XLogP value of -3.63 indicates that RefChem:319406 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, RefChem:319406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319406 has 0 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:319406 is 63957-50-6.
The molecular formula of RefChem:319406 is C15H36Br2N2O.
The molecular weight of RefChem:319406 is 418.11945 g/mol.
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