TL;DR: Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl- (CAS 134760-53-5) is a chemical compound with molecular formula C13H19N9O2 and molecular weight 333.16617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S,5R)-5-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]-3-azidooxolan-2-yl]methanol
Also Known As: Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl-, [(2S,3S,5R)-5-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]-3-azidooxolan-2-yl]methanol, [(2S,3S,5R)-5-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol, 2-Amino-9-(3-azido-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl)-6-ethyl(methyl)amino-9H-purine
| Molecular Formula | C13H19N9O2 |
| Molecular Weight | 333.16617 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.16617 Da |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
| SMILES | CCN(C)C1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N |
| InChIKey | NYSMDZRHSPHFGN-DJLDLDEBSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl-. Following Lipinski's Rule of Five, Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl- has 2 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 Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl- is 134760-53-5.
The molecular formula of Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl- is C13H19N9O2.
The molecular weight of Adenosine, 2-amino-3'-azido-2',3'-dideoxy-N-ethyl-N-methyl- is 333.16617 g/mol.
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