TL;DR: Homoanatoxin (CAS 142926-86-1) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-1-one
Also Known As: Homoanatoxin, Homoantx, Homoanatoxin-a, Homoanatoxin a, (+)-Homoanatoxin a
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.13101 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.13101 Da |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
| SMILES | CCC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |
| InChIKey | VVMQRZZXKNDPOT-PSASIEDQSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homoanatoxin. With a topological polar surface area (TPSA) of 29.1 Ų, Homoanatoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homoanatoxin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Homoanatoxin is 142926-86-1.
The molecular formula of Homoanatoxin is C11H17NO.
The molecular weight of Homoanatoxin is 179.13101 g/mol.
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