TL;DR: Jasmolin II (CAS 1172-63-0) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.20932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Jasmolin II
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.20932 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.20932 Da |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
| SMILES | CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C |
| InChIKey | WKNSDDMJXANVMK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Jasmolin II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Jasmolin II. Following Lipinski's Rule of Five, Jasmolin II has 0 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 Jasmolin II is 1172-63-0.
The molecular formula of Jasmolin II is C22H30O5.
The molecular weight of Jasmolin II is 374.20932 g/mol.
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