TL;DR: 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- (CAS 13418-50-3) is a chemical compound with molecular formula C16H10N4O3 and molecular weight 306.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,11-triaminonaphtho[2,3-f]isoindole-3,5,10-trione
Also Known As: 1,4,11-triaminonaphtho[2,3-f]isoindole-3,5,10-trione, 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-, 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino-, 3,4,11-triamino-1H-naphtho[2,3-f]isoindole-1,5,10-trione, 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H10N4O3 |
| Molecular Weight | 306.0753 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.0753 Da |
| Heavy Atoms | 23 |
| Complexity | 631.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=NC4=O)N)N |
| InChIKey | ZRWPJWRJYCWZGD-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino-. The TPSA of 142.0 Ų indicates high polarity, suggesting 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- is 13418-50-3.
The molecular formula of 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- is C16H10N4O3.
The molecular weight of 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 3,4,11-triamino- is 306.0753 g/mol.
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