TL;DR: Purine, 6-(o-tolyloxy)- (CAS 73972-55-1) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-methylphenoxy)-7H-purine
Also Known As: 6-(o-Tolyloxy)purine, Purine, 6-(o-tolyloxy)-, ALPHAPRODINE, 1H-Purine, 6-(2-methylphenoxy)-, 6-(2-methylphenoxy)-7H-purine
| Molecular Formula | C12H10N4O |
| Molecular Weight | 226.08546 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | CC1=CC=CC=C1OC2=NC=NC3=C2NC=N3 |
| InChIKey | LVYGUKJPQKOPQG-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 6-(o-tolyloxy)-. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 6-(o-tolyloxy)-. Following Lipinski's Rule of Five, Purine, 6-(o-tolyloxy)- 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 Purine, 6-(o-tolyloxy)- is 73972-55-1.
The molecular formula of Purine, 6-(o-tolyloxy)- is C12H10N4O.
The molecular weight of Purine, 6-(o-tolyloxy)- is 226.08546 g/mol.
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