TL;DR: Solstitialin (CAS 22738-70-1) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,3aR,6aR,8S,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Also Known As: Solstitialin, solstitialin a, Solstitialina(sh), SOLSTITIALIN DERIV 4700, Azuleno[4,5-b]furan-2(3H)-one, decahydro-3,8-dihydroxy-3-(hydroxymethyl)-6,9-bis(methylene)-, (3R,3aR,6aR,8S,9aR,9bR)-
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.13107 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13107 Da |
| Heavy Atoms | 20 |
| Complexity | 485.0 |
| SMILES | C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)[C@@]2(CO)O |
| InChIKey | LWOZDCFSMDBOSA-AQEIEYEASA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solstitialin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Solstitialin. Following Lipinski's Rule of Five, Solstitialin has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Solstitialin is 22738-70-1.
The molecular formula of Solstitialin is C15H20O5.
The molecular weight of Solstitialin is 280.13107 g/mol.
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