TL;DR: RefChem:318612 (CAS 63982-27-4) is a chemical compound with molecular formula C13H32Br2N2O and molecular weight 390.08813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]propyl]-dimethylazanium dibromide
Also Known As: Ammonium, ((2-(2-(ethyldimethylammonio)ethoxy)-2-methyl)ethyl)ethyldimethyl-, dibromide, 1-Propanaminium, N-ethyl-2-[2-(ethyldimethylammonio)ethoxy]-N,N-dimethyl-, dibromide, ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]propyl]-dimethylazanium dibromide, N-Ethyl-2-{2-[ethyl(dimethyl)azaniumyl]ethoxy}-N,N-dimethylpropan-1-aminium dibromide, N-Ethyl-2-{2-[ethyldi(methyl)azaniumyl]ethoxy}-N,N-dimethylpropan-1-aminium dibromide
| Molecular Formula | C13H32Br2N2O |
| Molecular Weight | 390.08813 g/mol |
| XLogP | -4.41 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.0861 Da |
| Heavy Atoms | 18 |
| Complexity | 190.0 |
| SMILES | CC[N+](C)(C)CCOC(C)C[N+](C)(C)CC.[Br-].[Br-] |
| InChIKey | FROHJIAAKPDPPL-UHFFFAOYSA-L |
The XLogP value of -4.41 indicates that RefChem:318612 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:318612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318612 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:318612 is 63982-27-4.
The molecular formula of RefChem:318612 is C13H32Br2N2O.
The molecular weight of RefChem:318612 is 390.08813 g/mol.
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