TL;DR: 2-(2,4-Diiodophenoxy)butanoic acid (CAS 90917-50-3) is a chemical compound with molecular formula C10H10I2O3 and molecular weight 431.87195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-diiodophenoxy)butanoic acid
Also Known As: 2-(2,4-diiodophenoxy)butanoic acid, 2-(2,4-Diiodophenoxy)butyric acid, BUTYRIC ACID, 2-(2,4-DIIODOPHENOXY)-, 4-06-00-01083 (Beilstein Handbook Reference), BRN 3301623
| Molecular Formula | C10H10I2O3 |
| Molecular Weight | 431.87195 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.87195 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CCC(C(=O)O)OC1=C(C=C(C=C1)I)I |
| InChIKey | OJBQXQKDTBWHEG-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-(2,4-Diiodophenoxy)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(2,4-Diiodophenoxy)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Diiodophenoxy)butanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,4-Diiodophenoxy)butanoic acid is 90917-50-3.
The molecular formula of 2-(2,4-Diiodophenoxy)butanoic acid is C10H10I2O3.
The molecular weight of 2-(2,4-Diiodophenoxy)butanoic acid is 431.87195 g/mol.
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