TL;DR: methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate (CAS 15298-42-7) is a chemical compound with molecular formula C19H18N2O7 and molecular weight 386.1114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-8,9-dihydro-6H-isochromeno[7,6-f]indazol-8-yl)acetate
Also Known As: methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate, [2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester, 2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic, 2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic acid methyl ester, Methyl (5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-2,4,6,8,9,11-hexahydroisochromeno[7,6-f]indazol-8-yl)acetate #
| Molecular Formula | C19H18N2O7 |
| Molecular Weight | 386.1114 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1114 Da |
| Heavy Atoms | 28 |
| Complexity | 685.0 |
| SMILES | CC1C2=C(CC(O1)CC(=O)OC)C(=C3C(=C2O)C(=O)C4=CN(N=C4C3=O)C)O |
| InChIKey | CNFRFHRDMCWFDB-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate is 15298-42-7.
The molecular formula of methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate is C19H18N2O7.
The molecular weight of methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate is 386.1114 g/mol.
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