![7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/851/851939-48-5.png)
7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851939-48-5) is a chemical compound with molecular formula C25H26F2N6O2 and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-fluorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-fluorobenzyl)-8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-fluorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-[(2-FLUOROPHENYL)METHYL]-8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 7-[(2-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazinyl]methyl}-1,3-dimet hyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C25H26F2N6O2 |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.20853 |
| Heavy Atoms | 35 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 851939-48-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5F |
| InChIKey | IYHSXQKYFMWPPA-UHFFFAOYSA-N |
Product Overview
7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851939-48-5), with molecular formula C25H26F2N6O2 and molecular weight 480.21 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 7 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-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 851939-48-5.
What is the molecular formula of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C25H26F2N6O2.
What is the molecular weight of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 480.21 g/mol.
Where can I buy 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-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-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-fluorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.