TL;DR: 6-Fluoropurine (CAS 1481-21-6) is a chemical compound with molecular formula C5H3FN4 and molecular weight 138.03418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-fluoro-7H-purine
Also Known As: 6-fluoro-7H-purine, 6-Fluoropurine, 6-fluoro-1H-purine, 1H-Purine, 6-fluoro-, 6-FLUORO-9H-PURINE
| Molecular Formula | C5H3FN4 |
| Molecular Weight | 138.03418 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.03418 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)F |
| InChIKey | LGQVOKWMIRXXDM-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoropurine. With a topological polar surface area (TPSA) of 54.5 Ų, 6-Fluoropurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoropurine 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 6-Fluoropurine is 1481-21-6.
The molecular formula of 6-Fluoropurine is C5H3FN4.
The molecular weight of 6-Fluoropurine is 138.03418 g/mol.
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