TL;DR: Tanshinaldehyde (CAS 142694-58-4) is a chemical compound with molecular formula C19H18O4 and molecular weight 310.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
Also Known As: Tanshinaldehyde, 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde, 1,2,6,7,8,9,10,11-Octahydro-1,6-dimethyl-10,11-dioxophenanthro(1,2-b)furan-6-carboxaldehyde, 1,6-Dimethyl-10,11-dioxo-1,2,6,7,8,9,10,11-octahydrophenanthro[1,2-b]furan-6-carbaldehyde, 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-6-carbaldehyde
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.1205 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.1205 Da |
| Heavy Atoms | 23 |
| Complexity | 619.0 |
| SMILES | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
| InChIKey | JRMAMBGELPWLSV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tanshinaldehyde. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tanshinaldehyde. Following Lipinski's Rule of Five, Tanshinaldehyde 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 Tanshinaldehyde is 142694-58-4.
The molecular formula of Tanshinaldehyde is C19H18O4.
The molecular weight of Tanshinaldehyde is 310.1205 g/mol.
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