TL;DR: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione (CAS 850736-20-8) is a chemical compound with molecular formula C19H25N5O5 and molecular weight 403.18558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione
Also Known As: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[(2-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((2-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methyl-purine-2,6-dione
| Molecular Formula | C19H25N5O5 |
| Molecular Weight | 403.18558 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.18558 Da |
| Heavy Atoms | 29 |
| Complexity | 593.0 |
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCC(C)O)N(C(=O)NC3=O)C)O |
| InChIKey | AKBZPVQMOMXBHZ-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione is 850736-20-8.
The molecular formula of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione is C19H25N5O5.
The molecular weight of 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione is 403.18558 g/mol.
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