TL;DR: Isoluminol (CAS 3682-14-2) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2,3-dihydrophthalazine-1,4-dione
Also Known As: 4-Aminophthalhydrazide, Isoluminol, 6-amino-2,3-dihydrophthalazine-1,4-dione, Iso-luminol, 1enu
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.05383 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | C1=CC2=C(C=C1N)C(=O)NNC2=O |
| InChIKey | HUDPLKWXRLNSPC-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Isoluminol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoluminol. Following Lipinski's Rule of Five, Isoluminol has 3 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 Isoluminol is 3682-14-2.
The molecular formula of Isoluminol is C8H7N3O2.
The molecular weight of Isoluminol is 177.05383 g/mol.
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