TL;DR: F0634-0017 (CAS 838888-82-7) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.2274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(4-benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: F0634-0017, 8-[(4-benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione, 7-ethyl-1,3-dimethyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydropurine-2,6- dione
| Molecular Formula | C21H28N6O2 |
| Molecular Weight | 396.2274 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2274 Da |
| Heavy Atoms | 29 |
| Complexity | 602.0 |
| SMILES | CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | ZIKSWFXZCRWCDD-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0634-0017. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F0634-0017. Following Lipinski's Rule of Five, F0634-0017 has 0 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 F0634-0017 is 838888-82-7.
The molecular formula of F0634-0017 is C21H28N6O2.
The molecular weight of F0634-0017 is 396.2274 g/mol.
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