TL;DR: 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- (CAS 122949-64-8) is a chemical compound with molecular formula C11H12N6O3 and molecular weight 276.09708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-3-cyanopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
Also Known As: 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino-, 2-[(4-amino-3-cyano-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate, 2-[(4-amino-3-cyanopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate, 1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,1-[[2-(acetyloxy)ethoxy]methyl]-4-amino-, 2-[(4-amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
| Molecular Formula | C11H12N6O3 |
| Molecular Weight | 276.09708 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.09708 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | CC(=O)OCCOCN1C2=NC=NC(=C2C(=N1)C#N)N |
| InChIKey | KGRSLXVEYZAAHW-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino-. Following Lipinski's Rule of Five, 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- has 1 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 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- is 122949-64-8.
The molecular formula of 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- is C11H12N6O3.
The molecular weight of 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino- is 276.09708 g/mol.
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