![7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/862/862979-65-5.png)
7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 862979-65-5) is a chemical compound with molecular formula C24H24ClFN6O2 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
Also Known As: 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione, 7-(4-chlorobenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazinyl]methyl}-3-methyl- 1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H24ClFN6O2 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 2.5863 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.16333 |
| Heavy Atoms | 34 |
| Complexity | 1434.0875 |
Chemical Identifiers
| CAS Number | 862979-65-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=C(C=C5)Cl |
Product Overview
7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 862979-65-5), with molecular formula C24H24ClFN6O2 and molecular weight 482.16 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.5863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-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 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-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 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 862979-65-5.
What is the molecular formula of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C24H24ClFN6O2.
What is the molecular weight of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 482.16 g/mol.
Where can I buy 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-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-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.