TL;DR: 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- (CAS 109402-60-0) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
Also Known As: Lactucin, Lactucine, 11beta,13-Dihydrolactucin, 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl-, 4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.09976 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.09976 Da |
| Heavy Atoms | 20 |
| Complexity | 583.0 |
| SMILES | CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
| InChIKey | VJQAFLAZRVKAKM-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl-. Following Lipinski's Rule of Five, 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- 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 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- is 109402-60-0.
The molecular formula of 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- is C15H16O5.
The molecular weight of 7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- is 276.09976 g/mol.
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