TL;DR: EO-9; NSC 382 459 (CAS 114560-48-4) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
Also Known As: Apaziquone, EO-9; NSC 382 459, NCI60_003655, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1h-indole-4,7-dione, 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H16N2O4 |
| Molecular Weight | 288.111 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.111 Da |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
| SMILES | CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO |
| InChIKey | MXPOCMVWFLDDLZ-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that EO-9; NSC 382 459 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for EO-9; NSC 382 459. Following Lipinski's Rule of Five, EO-9; NSC 382 459 has 2 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 EO-9; NSC 382 459 is 114560-48-4.
The molecular formula of EO-9; NSC 382 459 is C15H16N2O4.
The molecular weight of EO-9; NSC 382 459 is 288.111 g/mol.
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