TL;DR: 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)- (CAS 130598-02-6) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(furan-2-yl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
Also Known As: 3,4,4a,9a-Tetrahydro-4-(2-furanyl)-2,9,10(1H)-anthracenetrione, 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)-, 4-(furan-2-yl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione, 4-(Furan-2-yl)-3,4,4a,9a-tetrahydroanthracene-2,9,10(1H)-trione, BRN 4324955
| Molecular Formula | C18H14O4 |
| Molecular Weight | 294.0892 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.0892 Da |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
| SMILES | C1C(C2C(CC1=O)C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4 |
| InChIKey | DGGWPTYADKGFKN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)-. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)-. Following Lipinski's Rule of Five, 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)- 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 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)- is 130598-02-6.
The molecular formula of 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)- is C18H14O4.
The molecular weight of 2,9,10(1H)-Anthracenetrione, 3,4,4a,9a-tetrahydro-4-(2-furanyl)- is 294.0892 g/mol.
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