TL;DR: 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione (CAS 16499-05-1) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione
Also Known As: Graveolone, naphthalene, 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione, 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b, 2,2-dimethyl-3H-pyrano(3,2-g)chromene-4,8-dione
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.07356 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.07356 Da |
| Heavy Atoms | 18 |
| Complexity | 424.0 |
| SMILES | CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C |
| InChIKey | WEDGVCZUPFZNDE-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione 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 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione is 16499-05-1.
The molecular formula of 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione is C14H12O4.
The molecular weight of 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione is 244.07356 g/mol.
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