TL;DR: 6-Fluoromelatonin (CAS 62106-00-7) is a chemical compound with molecular formula C13H15FN2O2 and molecular weight 250.11176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Also Known As: 6-Fluoromelatonin, N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide, N-(2-(6-Fluoro-5-methoxy-1H-indol-3-yl)ethyl)acetamide, N-[2-(5-methoxy-6-fluoroindol-3-yl)ethyl]acetamide, ACETAMIDE, N-(2-(6-FLUORO-5-METHOXY-1H-INDOL-3-YL)ETHYL)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H15FN2O2 |
| Molecular Weight | 250.11176 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.11176 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)F |
| InChIKey | BTTITVUHHXXLFM-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoromelatonin. With a topological polar surface area (TPSA) of 54.1 Ų, 6-Fluoromelatonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoromelatonin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Fluoromelatonin is 62106-00-7.
The molecular formula of 6-Fluoromelatonin is C13H15FN2O2.
The molecular weight of 6-Fluoromelatonin is 250.11176 g/mol.
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