TL;DR: Bufotenin oxide (CAS 1019-44-9) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-hydroxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
Also Known As: Bufotenin oxide, Bufotenine oxide, BUFOTENINE, N-OXIDE, 1H-Indol-5-ol, 3-(2-(dimethylamino)ethyl)-, N-oxide, J2.250.319G
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.12119 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.12119 Da |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
| SMILES | C[N+](C)(CCC1=CNC2=C1C=C(C=C2)O)[O-] |
| InChIKey | UADOMBGQYQPICP-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufotenin oxide. With a topological polar surface area (TPSA) of 54.1 Ų, Bufotenin oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bufotenin oxide has 2 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 Bufotenin oxide is 1019-44-9.
The molecular formula of Bufotenin oxide is C12H16N2O2.
The molecular weight of Bufotenin oxide is 220.12119 g/mol.
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