![8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione structure](/static/products/847/847408-36-0.png)
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
TL;DR: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione (CAS 847408-36-0) is a chemical compound with molecular formula C25H26ClFN6O2 and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-7-[(2-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[4-(5-Chloro-2-methylphenyl)piperazinyl]methyl}-7-[(2-fluorophenyl)methyl]-3-methyl-1,3,7-trihydropurine-2,6-dione, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-(2-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazinyl]methyl}-7-[(2-fluorophenyl)methyl]- 3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C25H26ClFN6O2 |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 2.89472 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.179 |
| Heavy Atoms | 35 |
| Complexity | 1516.9036 |
Chemical Identifiers
| CAS Number | 847408-36-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC5=CC=CC=C5F)C(=O)NC(=O)N4C |
Product Overview
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione (CAS 847408-36-0), with molecular formula C25H26ClFN6O2 and molecular weight 496.18 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Property Insights of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
The XLogP value of 2.89472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-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-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione?
The CAS number of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione is 847408-36-0.
What is the molecular formula of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione is C25H26ClFN6O2.
What is the molecular weight of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione is 496.18 g/mol.
Where can I buy 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-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-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.