TL;DR: (Z)-Ethyl 3-iodoacrylate (CAS 10021-64-4) is a chemical compound with molecular formula C5H7IO2 and molecular weight 225.94908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-iodoprop-2-enoate
Also Known As: (E)-ETHYL 3-IODOACRYLATE, (Z)-Ethyl 3-iodoacrylate, Ethyl 3-iodoacrylate, Ethyl (E)-3-iodoacrylate, ethyl 3-iodoprop-2-enoate
| Molecular Formula | C5H7IO2 |
| Molecular Weight | 225.94908 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.94908 Da |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| SMILES | CCOC(=O)C=CI |
| InChIKey | AELYFQSZXFFNGP-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-Ethyl 3-iodoacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-Ethyl 3-iodoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-Ethyl 3-iodoacrylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-Ethyl 3-iodoacrylate is 10021-64-4.
The molecular formula of (Z)-Ethyl 3-iodoacrylate is C5H7IO2.
The molecular weight of (Z)-Ethyl 3-iodoacrylate is 225.94908 g/mol.
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