TL;DR: 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione (CAS 106729-79-7) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-hydroxycyclohexyl)isoindole-1,3-dione
Also Known As: 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione, 2-(3-hydroxycyclohexyl)isoindole-1,3-dione, (1S,3R)-2-(3-hydroxy-cyclohexyl)-isoindole-1,3-dione, N-(3-HYDROXYCYCLOHEXYL)PHTHALIMIDE, (1S,3S)-2-(3-Hydroxy-cyclohexyl)-isoindole-1,3-dione
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.1052 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.1052 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | C1CC(CC(C1)O)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | FBLDVWHNOYBREN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione 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 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione is 106729-79-7.
The molecular formula of 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione is C14H15NO3.
The molecular weight of 2-(3-Hydroxycyclohexyl)isoindoline-1,3-dione is 245.1052 g/mol.
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