TL;DR: 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid (CAS 1008695-48-4) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11b-methyl-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
Also Known As: 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid, 11b-Methyl-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid, 11b-methyl-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid, 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo(3,2-g)indolizine-5-carboxylic acid, 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylicacid
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.1161 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.1161 Da |
| Heavy Atoms | 21 |
| Complexity | 494.0 |
| SMILES | CC12CCC(=O)N1C(CC3=C2NC4=CC=CC=C34)C(=O)O |
| InChIKey | NZDWCAYIVCYIPK-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid. Following Lipinski's Rule of Five, 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid has 2 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 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid is 1008695-48-4.
The molecular formula of 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid is C16H16N2O3.
The molecular weight of 11b-methyl-3-oxo-1H,2H,3H,5H,6H,11H,11bH-indolo[3,2-g]indolizine-5-carboxylic acid is 284.1161 g/mol.
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