HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-6-(methoxymethoxy)benzaldehyde
Lanreotide Impurity 34 · 102-(methoxymethoxy)-6-[[2-(2-propan-2-yl-3-pyrazolyl)-3-pyridinyl]methoxy]benzaldehyde · 2-((2-(1-Isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-6-(methoxymethoxy)benzaldehyde · Benzaldehyde, 2-(methoxymethoxy)-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]-
Identifiers & Physical Properties
| CAS No. | 1667717-42-1 |
|---|---|
| Molecular formula | C21H23N3O4 |
| Average molar mass | 381.4 g/mol |
| Monoisotopic mass | 381.16885622 g/mol |
| SMILES | COCOc1cccc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O |
| InChIKey | HAGLXVPDKIRQCX-UHFFFAOYSA-N |
| PubChem CID | 90463243 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 75.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 9 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 479 |
| Boiling point | 583.7±50.0 °C(Predicted) |
| Density | 1.19±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.45±0.29(Predicted) |