![8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione structure](/static/products/847/847409-62-5.png)
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 847409-62-5) is a chemical compound with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(1-methyl-2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[4-(4-methoxyphenyl)piperazinyl]methyl}-3-methyl-7-(1-methyl-2-oxopropyl)-1 ,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H28N6O4 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 0.9041 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2172 |
| Heavy Atoms | 32 |
| Complexity | 1248.3922 |
Chemical Identifiers
| CAS Number | 847409-62-5 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC |
Product Overview
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 847409-62-5), with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol. IUPAC: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of 0.9041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione has 1 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 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 847409-62-5.
What is the molecular formula of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C22H28N6O4.
What is the molecular weight of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 440.22 g/mol.
Where can I buy 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)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 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.