TL;DR: 2F'-2-NMe2-A (CAS 157762-27-1) is a chemical compound with molecular formula C12H17FN6O3 and molecular weight 312.1346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R)-5-[6-amino-2-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2F'-2-NMe2-A, 2-(Dimethylamino)-2'-deoxy-2'-fluoroadenosine, adenosine, 2'-deoxy-2-(dimethylamino)-2'-fluoro-, (2R,3R,4R,5R)-5-[6-amino-2-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, (2R,3R,4R,5R)-5-[6-amino-2-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
| Molecular Formula | C12H17FN6O3 |
| Molecular Weight | 312.1346 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.1346 Da |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
| SMILES | CN(C)C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N |
| InChIKey | KZFDFSBKSIKXFT-HUKYDQBMSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2F'-2-NMe2-A. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2F'-2-NMe2-A. Following Lipinski's Rule of Five, 2F'-2-NMe2-A has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2F'-2-NMe2-A is 157762-27-1.
The molecular formula of 2F'-2-NMe2-A is C12H17FN6O3.
The molecular weight of 2F'-2-NMe2-A is 312.1346 g/mol.
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