TL;DR: Ammothamnine (CAS 16837-52-8) is a chemical compound with molecular formula C15H24N2O2 and molecular weight 264.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Also Known As: Oxymatrine, Ammothamnine, Oxysophoridine, Matrine N-oxide, Matrine oxide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24N2O2 |
| Molecular Weight | 264.18378 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.18378 Da |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
| SMILES | C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-] |
| InChIKey | XVPBINOPNYFXID-LHDUFFHYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammothamnine. With a topological polar surface area (TPSA) of 38.4 Ų, Ammothamnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammothamnine has 0 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 Ammothamnine is 16837-52-8.
The molecular formula of Ammothamnine is C15H24N2O2.
The molecular weight of Ammothamnine is 264.18378 g/mol.
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