TL;DR: 8-Hydroxy-5,7-dinitrocarbostyril (CAS 15450-74-5) is a chemical compound with molecular formula C9H5N3O6 and molecular weight 251.01784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxy-5,7-dinitro-1H-quinolin-2-one
Also Known As: 5,7-Bis(hydroxy(oxido)amino)-2,8-quinolinediol, 8-Hydroxy-5,7-dinitrocarbostyril, 8-Hydroxy-5,7-dinitro-carbostyril, 8-hydroxy-5,7-dinitro-1H-quinolin-2-one, 5,7-dinitroquinoline-2,8-diol
| Molecular Formula | C9H5N3O6 |
| Molecular Weight | 251.01784 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.01784 Da |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
| SMILES | C1=CC(=O)NC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DJAXDLJCIDXZON-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxy-5,7-dinitrocarbostyril. The TPSA of 141.0 Ų indicates high polarity, suggesting 8-Hydroxy-5,7-dinitrocarbostyril may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Hydroxy-5,7-dinitrocarbostyril has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Hydroxy-5,7-dinitrocarbostyril is 15450-74-5.
The molecular formula of 8-Hydroxy-5,7-dinitrocarbostyril is C9H5N3O6.
The molecular weight of 8-Hydroxy-5,7-dinitrocarbostyril is 251.01784 g/mol.
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