TL;DR: Trilobin (Asimina triloba) (CAS 165525-53-1) is a chemical compound with molecular formula C37H66O7 and molecular weight 622.48083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Also Known As: trilobin, ( )-Trilobin, (+)-Trilobin, Trilobin (Asimina triloba), (2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C37H66O7 |
| Molecular Weight | 622.48083 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 622.48083 Da |
| Heavy Atoms | 44 |
| Complexity | 801.0 |
| SMILES | CCCCCCCCCC[C@H]([C@H]1CC[C@H](O1)[C@H]2CCC(O2)[C@@H](CCCC[C@@H](CCCCCCCC3=C[C@@H](OC3=O)C)O)O)O |
| InChIKey | ZKPIIYAYSXXUDC-MKIBNCTOSA-N |
The XLogP value of 9.3 indicates that Trilobin (Asimina triloba) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trilobin (Asimina triloba). Following Lipinski's Rule of Five, Trilobin (Asimina triloba) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Trilobin (Asimina triloba) is 165525-53-1.
The molecular formula of Trilobin (Asimina triloba) is C37H66O7.
The molecular weight of Trilobin (Asimina triloba) is 622.48083 g/mol.
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