TL;DR: Clavepictine A (CAS 132621-83-1) is a chemical compound with molecular formula C22H37NO2 and molecular weight 347.28244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
Also Known As: Clavepictine A, [(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
| Molecular Formula | C22H37NO2 |
| Molecular Weight | 347.28244 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.28244 Da |
| Heavy Atoms | 25 |
| Complexity | 457.0 |
| SMILES | CCCCCC/C=C/C=C/[C@@H]1CCCC2N1[C@H]([C@@H](CC2)OC(=O)C)C |
| InChIKey | NISMLZNZORHXMO-WKWFSKFNSA-N |
The XLogP value of 6.2 indicates that Clavepictine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Clavepictine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clavepictine A has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Clavepictine A is 132621-83-1.
The molecular formula of Clavepictine A is C22H37NO2.
The molecular weight of Clavepictine A is 347.28244 g/mol.
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