TL;DR: Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) (CAS 21480-09-1) is a chemical compound with molecular formula C24H42I2N2O4 and molecular weight 676.1234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[2-[2-[2-(triethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
Also Known As: 5-Bromo-4-chloroquinazoline, (2-Hydroxyethyl)triethylammonium iodide phthalate (2:1), AMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, IODIDE, PHTHALATE (2:1), triethyl-[2-[2-[2-(triethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide, triethyl-[2-[2-(2-triethylammonioethoxycarbonyl)benzoyl]oxyethyl]azanium diiodide
| Molecular Formula | C24H42I2N2O4 |
| Molecular Weight | 676.1234 g/mol |
| XLogP | -2.24 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 676.1234 Da |
| Heavy Atoms | 32 |
| Complexity | 453.0 |
| SMILES | CC[N+](CC)(CC)CCOC(=O)C1=CC=CC=C1C(=O)OCC[N+](CC)(CC)CC.[I-].[I-] |
| InChIKey | BPZBTNRPFXFUQK-UHFFFAOYSA-L |
The XLogP value of -2.24 indicates that Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) is 21480-09-1.
The molecular formula of Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) is C24H42I2N2O4.
The molecular weight of Ammonium, (2-hydroxyethyl)triethyl-, iodide, phthalate (2:1) is 676.1234 g/mol.
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