TL;DR: Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethyl-, diiodide (CAS 101501-69-3) is a chemical compound with molecular formula C24H46I2N2O4 and molecular weight 680.1547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[2-hydroxy-3-[3-[2-hydroxy-3-(triethylazaniumyl)propoxy]phenoxy]propyl]azanium diiodide
Also Known As: AMMONIUM, (m-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(TRIETHYL-, DIIODIDE, (m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethylammonium iodide), triethyl-[2-hydroxy-3-[3-[2-hydroxy-3-(triethylazaniumyl)propoxy]phenoxy]propyl]azanium;diiodide, 3,3'-[1,3-Phenylenebis(oxy)]bis(N,N,N-triethyl-2-hydroxypropan-1-aminium) diiodide, 3,3'-[benzene-1,3-diylbis(oxy)]bis(n,n,n-triethyl-2-hydroxypropan-1-aminium) diiodide
| Molecular Formula | C24H46I2N2O4 |
| Molecular Weight | 680.1547 g/mol |
| XLogP | -3.07 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 680.1547 Da |
| Heavy Atoms | 32 |
| Complexity | 386.0 |
| SMILES | CC[N+](CC)(CC)CC(COC1=CC(=CC=C1)OCC(C[N+](CC)(CC)CC)O)O.[I-].[I-] |
| InChIKey | JPXOPPVKEPKMPQ-UHFFFAOYSA-L |
The XLogP value of -3.07 indicates that Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethyl-, 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(triethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethyl-, 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(triethyl-, diiodide is 101501-69-3.
The molecular formula of Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethyl-, diiodide is C24H46I2N2O4.
The molecular weight of Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(triethyl-, diiodide is 680.1547 g/mol.
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