TL;DR: 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione (CAS 1039008-56-4) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione
Also Known As: F3412-0036, 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione, 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione, 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindoline-1,3-dione, 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H13N3O4 |
| Molecular Weight | 287.0906 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | CC1=CC(=NN1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC |
| InChIKey | FCKVQKJONTUTHL-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione has 1 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 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione is 1039008-56-4.
The molecular formula of 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione is C14H13N3O4.
The molecular weight of 4,5-dimethoxy-2-(5-methyl-1H-pyrazol-3-yl)isoindole-1,3-dione is 287.0906 g/mol.
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