TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)- (CAS 13793-48-1) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5,5-dimethyl-2-oxooxolan-3-yl)isoindole-1,3-dione
Also Known As: 2-(Tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-, 2-(5,5-dimethyl-2-oxooxolan-3-yl)isoindole-1,3-dione, 2-(5,5-Dimethyl-2-oxooxolan-3-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.08447 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.08447 Da |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
| SMILES | CC1(CC(C(=O)O1)N2C(=O)C3=CC=CC=C3C2=O)C |
| InChIKey | MPRPCLWVAXZQCY-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)- has 0 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 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)- is 13793-48-1.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)- is C14H13NO4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)- is 259.08447 g/mol.
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