TL;DR: 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)- (CAS 115610-20-3) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxyethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)-, 2-(2-hydroxyethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, J1.642.694F, Acetamide, 2-amino-N-[1-(2-pyridinyl)ethyl]-, N-(2-Hydroxyethyl)-1,2-cyclohexanedicarboximide
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.1052 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.1052 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CCO |
| InChIKey | OTIMBIMMWQMEON-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)-. With a topological polar surface area (TPSA) of 57.6 Ų, 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)- has 1 hydrogen bond donor(s) and 3 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, hexahydro-2-(2-hydroxyethyl)- is 115610-20-3.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)- is C10H15NO3.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)- is 197.1052 g/mol.
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