![7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851940-11-9.png)
7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-11-9) 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.
7-[(3-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-chlorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-(3-chlorobenzyl)-8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazinyl]methyl}-1,3-dimet hyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C25H26ClFN6O2 |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 2.5967 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.179 |
| Heavy Atoms | 35 |
| Complexity | 1499.6536 |
Chemical Identifiers
| CAS Number | 851940-11-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC(=CC=C5)Cl |
Product Overview
7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-11-9), with molecular formula C25H26ClFN6O2 and molecular weight 496.18 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.5967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 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 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851940-11-9.
What is the molecular formula of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C25H26ClFN6O2.
What is the molecular weight of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 496.18 g/mol.
Where can I buy 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-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 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.