TL;DR: 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- (CAS 106824-80-0) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,7,8-tetrahydro-1H-benzo[f]indole-2,3-dione
Also Known As: 5,6,7,8-Tetrahydrobenz(f)isatin, 5,6,7,8-tetrahydro-1H-benzo[f]indole-2,3-dione, 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro-, 5,6,7,8-Tetrahydro-1H-benz(f)indol-2,3-dione, 4-21-00-05524 (Beilstein Handbook Reference)
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C1CCC2=CC3=C(C=C2C1)C(=O)C(=O)N3 |
| InChIKey | IRICXQWNLWGILY-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro-. With a topological polar surface area (TPSA) of 46.2 Ų, 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- 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-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- is 106824-80-0.
The molecular formula of 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- is C12H11NO2.
The molecular weight of 1H-Benz(f)indole-2,3-dione, 5,6,7,8-tetrahydro- is 201.07898 g/mol.
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