![8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/847/847408-96-2.png)
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 847408-96-2) is a chemical compound with molecular formula C25H27FN6O2 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-phenethylpurine-2,6-dione, 8-{[4-(4-fluorophenyl)piperazinyl]methyl}-3-methyl-7-(2-phenylethyl)-1,3,7-tri hydropurine-2,6-dione
| Molecular Formula | C25H27FN6O2 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 2.1273 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.21796 |
| Heavy Atoms | 34 |
| Complexity | 1399.8628 |
Chemical Identifiers
| CAS Number | 847408-96-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCC5=CC=CC=C5 |
Product Overview
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 847408-96-2), with molecular formula C25H27FN6O2 and molecular weight 462.22 g/mol. IUPAC: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.1273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 847408-96-2.
What is the molecular formula of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C25H27FN6O2.
What is the molecular weight of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 462.22 g/mol.
Where can I buy 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(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-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(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.