![7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione structure](/static/products/862/862979-68-8.png)
7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
TL;DR: 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione (CAS 862979-68-8) is a chemical compound with molecular formula C25H27ClN6O3 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
Also Known As: 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazinyl]methyl}-3-methyl -1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C25H27ClN6O3 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 2.4558 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.18332 |
| Heavy Atoms | 35 |
| Complexity | 1465.5767 |
Chemical Identifiers
| CAS Number | 862979-68-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl |
Product Overview
7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione (CAS 862979-68-8), with molecular formula C25H27ClN6O3 and molecular weight 494.18 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
Property Insights of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
The XLogP value of 2.4558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione?
The CAS number of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione is 862979-68-8.
What is the molecular formula of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione?
The molecular formula of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione is C25H27ClN6O3.
What is the molecular weight of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione?
The molecular weight of 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione is 494.18 g/mol.
Where can I buy 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione?
You can request a quote for 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]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 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.