TL;DR: 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione (CAS 57998-96-6) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
Also Known As: 3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione, CB 1718, 3',4'-dihydro-2H,2'H,5H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione, 4-24-00-01553 (Beilstein Handbook Reference), J1.107.906G
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| Solubility | 30.6 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1CC2=CC=CC=C2C3(C1)C(=O)NC(=O)N3 |
| InChIKey | OZYWLMZRNIFQPM-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione has 2 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 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione is 57998-96-6.
The molecular formula of 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione is C12H12N2O2.
The molecular weight of 3',4'-Dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione is 216.08987 g/mol.
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