![8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851940-72-2.png)
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-72-2) is a chemical compound with molecular formula C26H27FN6O3 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
Also Known As: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione, 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione, 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C26H27FN6O3 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 1.7779 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.21286 |
| Heavy Atoms | 36 |
| Complexity | 1547.9347 |
Chemical Identifiers
| CAS Number | 851940-72-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC(=O)C5=CC=CC=C5 |
Product Overview
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-72-2), with molecular formula C26H27FN6O3 and molecular weight 490.21 g/mol. IUPAC: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione.
Chemical Property Profile of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.7779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851940-72-2.
What is the molecular formula of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C26H27FN6O3.
What is the molecular weight of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 490.21 g/mol.
Where can I buy 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.