TL;DR: 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione (CAS 15012-61-0) is a chemical compound with molecular formula C15H16O7 and molecular weight 308.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione
Also Known As: Trimethoxyechinochrome A
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.0896 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0896 Da |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
| SMILES | CCC1=C(C(=O)C2=C(C1=O)C(=C(C(=C2O)OC)OC)O)OC |
| InChIKey | ARGBXUUETJKDTC-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione is 15012-61-0.
The molecular formula of 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione is C15H16O7.
The molecular weight of 2-Ethyl-5,8-dihydroxy-3,6,7-trimethoxynaphthalene-1,4-dione is 308.0896 g/mol.
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