TL;DR: RefChem:319431 (CAS 63981-99-7) is a chemical compound with molecular formula C13H32I2N2O and molecular weight 486.06042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl-methyl-propyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide
Also Known As: AS-13,569, Ammonium, N-ethyl-N-propyl-N,N',N',N'-tetramethyl-N,N'-oxydiethylenedi-, diiodide, ethyl-methyl-propyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide, Ethanaminium, 2-[2-(ethylmethylpropylammonio)ethoxy]-N,N,N-trimethyl-, diiodide, N-Ethyl-N-methyl-N-{2-[2-(trimethylazaniumyl)ethoxy]ethyl}propan-1-aminium diiodide
| Molecular Formula | C13H32I2N2O |
| Molecular Weight | 486.06042 g/mol |
| XLogP | -4.41 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.06042 Da |
| Heavy Atoms | 18 |
| Complexity | 177.0 |
| SMILES | CCC[N+](C)(CC)CCOCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | OHDRNJZYQXBZGG-UHFFFAOYSA-L |
The XLogP value of -4.41 indicates that RefChem:319431 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:319431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319431 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:319431 is 63981-99-7.
The molecular formula of RefChem:319431 is C13H32I2N2O.
The molecular weight of RefChem:319431 is 486.06042 g/mol.
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