TL;DR: Stramonin-B (CAS 65179-88-6) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,9a-dimethylspiro[3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-3,2'-oxirane]-2,9-dione
Also Known As: Stramonin B, Stramonin-D, STRAMONIN-B, 6,9a-dimethyl-4,5,6,6a,9a,9b-hexahydrospiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,9(3ah)-dione, 6,9a-dimethylspiro[3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-3,2'-oxirane]-2,9-dione
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.1205 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 Da |
| Heavy Atoms | 19 |
| Complexity | 510.0 |
| SMILES | CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C24CO4 |
| InChIKey | AYSAVJUPCHRCGO-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stramonin-B. With a topological polar surface area (TPSA) of 55.9 Ų, Stramonin-B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stramonin-B 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 Stramonin-B is 65179-88-6.
The molecular formula of Stramonin-B is C15H18O4.
The molecular weight of Stramonin-B is 262.1205 g/mol.
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