TL;DR: Hippuric acid, 3,5-diiodo-4-propoxy- (CAS 100191-73-9) is a chemical compound with molecular formula C12H13I2NO4 and molecular weight 488.8934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-diiodo-4-propoxybenzoyl)amino]acetic acid
Also Known As: 3,5-Diiodo-4-propoxyhippuric acid, 3,5-Dijod-4-propoxyhippursaeure, HIPPURIC ACID, 3,5-DIIODO-4-PROPOXY-, 3,5-Dijod-4-propoxyhippursaeure [German], N-(3,5-diiodo-4-propoxybenzoyl)glycine
| Molecular Formula | C12H13I2NO4 |
| Molecular Weight | 488.8934 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.8934 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | CCCOC1=C(C=C(C=C1I)C(=O)NCC(=O)O)I |
| InChIKey | OXWFOWCVYQQCRT-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Hippuric acid, 3,5-diiodo-4-propoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuric acid, 3,5-diiodo-4-propoxy-. Following Lipinski's Rule of Five, Hippuric acid, 3,5-diiodo-4-propoxy- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hippuric acid, 3,5-diiodo-4-propoxy- is 100191-73-9.
The molecular formula of Hippuric acid, 3,5-diiodo-4-propoxy- is C12H13I2NO4.
The molecular weight of Hippuric acid, 3,5-diiodo-4-propoxy- is 488.8934 g/mol.
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