TL;DR: Naphthgeranine E (CAS 137109-47-8) is a chemical compound with molecular formula C20H16O7 and molecular weight 368.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethylnaphtho[2,3-c]isochromene-7,12-dione
Also Known As: Naphthgeranine E, Naphthgeranin E, 3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethylnaphtho[2,3-c]isochromene-7,12-dione, 3,8,10-Trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-5H-benzo[d]naphtho[2,3-b]pyran-7,12-dione, 5H-Benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.0896 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.0896 Da |
| Heavy Atoms | 27 |
| Complexity | 696.0 |
| SMILES | CC1(C2=C(C=C(C(=C2)O)CO)C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)C |
| InChIKey | ICTWTPJJRPUOMP-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthgeranine E. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthgeranine E. Following Lipinski's Rule of Five, Naphthgeranine E has 4 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 Naphthgeranine E is 137109-47-8.
The molecular formula of Naphthgeranine E is C20H16O7.
The molecular weight of Naphthgeranine E is 368.0896 g/mol.
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