TL;DR: 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate (CAS 732921-72-1) is a chemical compound with molecular formula C9H15I2NO4 and molecular weight 454.90906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate
Also Known As: 2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate, Acetic acid, iodo-, diester with methyldiethanolamine, hydriodide
| Molecular Formula | C9H15I2NO4 |
| Molecular Weight | 454.90906 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.90906 Da |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
| SMILES | CN(CCOC(=O)CI)CCOC(=O)CI |
| InChIKey | AEMNEQPTGFXBCU-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate. With a topological polar surface area (TPSA) of 55.8 Ų, 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate is 732921-72-1.
The molecular formula of 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate is C9H15I2NO4.
The molecular weight of 2-[2-(2-Iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate is 454.90906 g/mol.
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