TL;DR: 1,7,8-Anthracenetriol, 9-myristoyl- (CAS 64817-78-3) is a chemical compound with molecular formula C28H36O4 and molecular weight 436.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,2,8-trihydroxyanthracen-9-yl)tetradecan-1-one
Also Known As: 9-Myristoyl-1,7,8-anthracenetriol, 10-Myristoyl-1,8,9-anthracenetriol, 1,7,8-ANTHRACENETRIOL, 9-MYRISTOYL-, 1,8-Dihydroxy-10-myristoyl-9-anthrone, 1-(1,2,8-trihydroxyanthracen-9-yl)tetradecan-1-one
| Molecular Formula | C28H36O4 |
| Molecular Weight | 436.26135 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 436.26135 Da |
| Heavy Atoms | 32 |
| Complexity | 550.0 |
| SMILES | CCCCCCCCCCCCCC(=O)C1=C2C(=CC3=C1C(=C(C=C3)O)O)C=CC=C2O |
| InChIKey | YSGMFUXPWYPKGA-UHFFFAOYSA-N |
The XLogP value of 9.3 indicates that 1,7,8-Anthracenetriol, 9-myristoyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,8-Anthracenetriol, 9-myristoyl-. Following Lipinski's Rule of Five, 1,7,8-Anthracenetriol, 9-myristoyl- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,7,8-Anthracenetriol, 9-myristoyl- is 64817-78-3.
The molecular formula of 1,7,8-Anthracenetriol, 9-myristoyl- is C28H36O4.
The molecular weight of 1,7,8-Anthracenetriol, 9-myristoyl- is 436.26135 g/mol.
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