TL;DR: adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl- (CAS 151643-77-5) is a chemical compound with molecular formula C12H17FN6O2 and molecular weight 296.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
Also Known As: adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl-, [(2R,3S,5R)-5-(2-amino-6-dimethylamino-purin-9-yl)-3-fluoro-oxolan-2-yl]methanol, 2-amino-9-(2,3-dideoxy-3-fluoro-beta-D-erythro-pentofuranosyl)-6-(dimethylamino)-9H-purine
| Molecular Formula | C12H17FN6O2 |
| Molecular Weight | 296.1397 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1397 Da |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)F)N |
| InChIKey | GTJDRJVUKKLIMI-XLPZGREQSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl-. Following Lipinski's Rule of Five, adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl- is 151643-77-5.
The molecular formula of adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl- is C12H17FN6O2.
The molecular weight of adenosine, 2-amino-2',3'-dideoxy-3'-fluoro-N,N-dimethyl- is 296.1397 g/mol.
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