TL;DR: Imazethapyr (CAS 81335-77-5) is a chemical compound with molecular formula C15H19N3O3 and molecular weight 289.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Also Known As: IMAZETHAPYR, Pursuit, Pivot, Vezir, Imazethapyr ME
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H19N3O3 |
| Molecular Weight | 289.14264 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.14264 Da |
| Heavy Atoms | 21 |
| Complexity | 475.0 |
| Melting Point | 173 °C |
| Boiling Point | 180 °C (decomposes) |
| Density | 1.10 to 1.12 at 21 °C |
| Solubility | In acetone 48.2, methanol 105, tolulene 5, dichloromethane 185, isopropanol 17, heptane 0.9 (all in g/L, 25 °C) |
| SMILES | CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O |
| InChIKey | XVOKUMIPKHGGTN-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imazethapyr. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Imazethapyr. Following Lipinski's Rule of Five, Imazethapyr has 2 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 Imazethapyr is 81335-77-5.
The molecular formula of Imazethapyr is C15H19N3O3.
The molecular weight of Imazethapyr is 289.14264 g/mol.
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