TL;DR: 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate (CAS 141945-44-0) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-oxido-12-oxa-1,11-diaza-13-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10,13-pentaen-15-one
Also Known As: 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate, 13-oxido-12-oxa-1,11-diaza-13-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10,13-pentaen-15-one, 15-oxo-12-oxa-1,11,13-triazatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-5(16),6,8,10,13-pentaen-13-ium-13-olate, 9-Oxo-5,6-dihydro-4H,8H-9lambda~5~-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-8-one
| Molecular Formula | C12H9N3O3 |
| Molecular Weight | 243.06439 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.06439 Da |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
| SMILES | C1CC2=C3C(=CC=C2)C4=NO[N+](=C4C(=O)N3C1)[O-] |
| InChIKey | DPHKPCHJPXDGQB-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate. Following Lipinski's Rule of Five, 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate is 141945-44-0.
The molecular formula of 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate is C12H9N3O3.
The molecular weight of 8-oxo-5,6-dihydro-4H,8H-[1,2,5]oxadiazolo[3,4-c]pyrido[3,2,1-ij]quinolin-9-ium-9-olate is 243.06439 g/mol.
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