TL;DR: Voacangine (CAS 510-22-5) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Voacangine, (-)-Voacangine, Carbomethoxyibogaine, Indole alkaloid derivative, methyl ethyl(methoxy)[?]carboxylate
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.21 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.21 Da |
| Heavy Atoms | 27 |
| Complexity | 598.0 |
| SMILES | CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
| InChIKey | MMAYTCMMKJYIAM-RUGRQLENSA-N |
The XLogP value of 3.5 indicates that Voacangine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Voacangine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Voacangine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Voacangine is 510-22-5.
The molecular formula of Voacangine is C22H28N2O3.
The molecular weight of Voacangine is 368.21 g/mol.
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