TL;DR: Fusidienol (CAS 157173-61-0) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.0583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate
Also Known As: Fusidienol, methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate, Methyl 7-hydroxy-3-(hydroxymethyl)-6-oxo-6H-oxepino[2,3-b][1]benzopyran-5-carboxylate, METHYL 7-HYDROXY-3-(HYDROXYMETHYL)-6-OXO-6H-OXEPINO[2,3-B]CHROMENE-5-CARBOXYLATE, methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino(2,3-b)chromene-5-carboxylate
| Molecular Formula | C16H12O7 |
| Molecular Weight | 316.0583 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0583 Da |
| Heavy Atoms | 23 |
| Complexity | 628.0 |
| SMILES | COC(=O)C1=CC(=COC2=C1C(=O)C3=C(C=CC=C3O2)O)CO |
| InChIKey | LJNGMSGIOXTZLN-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fusidienol. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fusidienol. Following Lipinski's Rule of Five, Fusidienol 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 Fusidienol is 157173-61-0.
The molecular formula of Fusidienol is C16H12O7.
The molecular weight of Fusidienol is 316.0583 g/mol.
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