TL;DR: 7-(4-Methylphenyl)-2,4-pteridinediol (CAS 113120-76-6) is a chemical compound with molecular formula C13H10N4O2 and molecular weight 254.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-methylphenyl)-1H-pteridine-2,4-dione
Also Known As: 7-(4-methylphenyl)-2,4-pteridinediol, 7-(p-Tolyl)pteridine-2,4-diol, 7-(4-methylphenyl)pteridine-2,4-diol, 7-(p-Tolyl)pteridine-2,4(1H,3H)-dione, 7-(4-methylphenyl)-1H-pteridine-2,4-dione
| Molecular Formula | C13H10N4O2 |
| Molecular Weight | 254.08037 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.08037 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | CC1=CC=C(C=C1)C2=CN=C3C(=N2)NC(=O)NC3=O |
| InChIKey | WKSIAJVZHHKROA-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Methylphenyl)-2,4-pteridinediol. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Methylphenyl)-2,4-pteridinediol. Following Lipinski's Rule of Five, 7-(4-Methylphenyl)-2,4-pteridinediol has 2 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 7-(4-Methylphenyl)-2,4-pteridinediol is 113120-76-6.
The molecular formula of 7-(4-Methylphenyl)-2,4-pteridinediol is C13H10N4O2.
The molecular weight of 7-(4-Methylphenyl)-2,4-pteridinediol is 254.08037 g/mol.
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