TL;DR: Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide (CAS 99999-48-1) is a chemical compound with molecular formula C18H34I2N2O4 and molecular weight 596.0608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-hydroxy-3-[3-[2-hydroxy-3-(trimethylazaniumyl)propoxy]phenoxy]propyl]-trimethylazanium diiodide
Also Known As: AMMONIUM, (m-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(TRIMETHYL-, DIIODIDE, (m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethylammonium iodide), 3,3'-[1,3-Phenylenebis(oxy)]bis(2-hydroxy-N,N,N-trimethylpropan-1-aminium) diiodide, [2-hydroxy-3-[3-[2-hydroxy-3-(trimethylazaniumyl)propoxy]phenoxy]propyl]-trimethylazanium diiodide
| Molecular Formula | C18H34I2N2O4 |
| Molecular Weight | 596.0608 g/mol |
| XLogP | -5.41 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 596.0608 Da |
| Heavy Atoms | 26 |
| Complexity | 320.0 |
| SMILES | C[N+](C)(C)CC(COC1=CC(=CC=C1)OCC(C[N+](C)(C)C)O)O.[I-].[I-] |
| InChIKey | JBLZVGBEZDPJAD-UHFFFAOYSA-L |
The XLogP value of -5.41 indicates that Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide is 99999-48-1.
The molecular formula of Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide is C18H34I2N2O4.
The molecular weight of Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide is 596.0608 g/mol.
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