TL;DR: BAS 00316176 (CAS 164410-94-0) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.1382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 00316176, 1-Methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 1-methyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F0372-0790, 1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C16H17N5O2 |
| Molecular Weight | 311.1382 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.1382 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)NC(=O)N4C |
| InChIKey | WNXWYCNZVRRYSP-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00316176. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00316176. Following Lipinski's Rule of Five, BAS 00316176 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 BAS 00316176 is 164410-94-0.
The molecular formula of BAS 00316176 is C16H17N5O2.
The molecular weight of BAS 00316176 is 311.1382 g/mol.
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