TL;DR: 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- (CAS 131927-05-4) is a chemical compound with molecular formula C25H26ClN5O4 and molecular weight 495.16733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Also Known As: 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo-, N-[2-(4-Chlorophenoxy)-2-methyl-1-phenylpropyl](1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanimidic acid, N-[2-(4-Chlorophenoxy)-2-methyl-1-phenylpropyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanimidic acid, N-[2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide, BRN 3639184
| Molecular Formula | C25H26ClN5O4 |
| Molecular Weight | 495.16733 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.16733 Da |
| Heavy Atoms | 35 |
| Complexity | 797.0 |
| SMILES | CC(C)(C(C1=CC=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)Cl |
| InChIKey | JIPRVOVVYPUERC-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo-. Following Lipinski's Rule of Five, 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- is 131927-05-4.
The molecular formula of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- is C25H26ClN5O4.
The molecular weight of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-2-methyl-1-phenylpropyl)-1,3-dimethyl-2,6-dioxo- is 495.16733 g/mol.
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