TL;DR: Pinolidoxin (CAS 152985-39-2) is a chemical compound with molecular formula C18H26O6 and molecular weight 338.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5E)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate
Also Known As: Pinolidoxin, Lethaloxin, Pinolidioxin, Compound NP-009314, J3.139.535F
| Molecular Formula | C18H26O6 |
| Molecular Weight | 338.17294 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.17294 Da |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
| SMILES | CCCC1C(C(/C=C/CCC(C(=O)O1)OC(=O)/C=C/C=C/C)O)O |
| InChIKey | TXPRZPDVUZCNLB-YECGNMMBSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinolidoxin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinolidoxin. Following Lipinski's Rule of Five, Pinolidoxin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pinolidoxin is 152985-39-2.
The molecular formula of Pinolidoxin is C18H26O6.
The molecular weight of Pinolidoxin is 338.17294 g/mol.
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