TL;DR: 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- (CAS 143647-58-9) is a chemical compound with molecular formula C22H15NO2 and molecular weight 325.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-phenyl-3-(2-phenylethynyl)isoindol-1-one
Also Known As: 2H-448S, 3-hydroxy-2-phenyl-3-(2-phenylethynyl)isoindol-1-one, 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)-, 3-hydroxy-2-phenyl-3-(2-phenylethynyl)-1-isoindolinone, 3-hydroxy-2-phenyl-3-(2-phenylethynyl)-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C22H15NO2 |
| Molecular Weight | 325.1103 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1103 Da |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
| SMILES | C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O |
| InChIKey | ZOYBFRXHSUYDHK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- is 143647-58-9.
The molecular formula of 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- is C22H15NO2.
The molecular weight of 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)- is 325.1103 g/mol.
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