![8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione structure](/static/products/862/862979-98-4.png)
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-98-4) is a chemical compound with molecular formula C22H27ClN6O3 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(1-methyl-2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazinyl]methyl}-3-methyl-7-(1-methyl-2-oxop ropyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H27ClN6O3 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 1.85732 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.18332 |
| Heavy Atoms | 32 |
| Complexity | 1299.4641 |
Chemical Identifiers
| CAS Number | 862979-98-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3C(C)C(=O)C)C(=O)NC(=O)N4C |
Product Overview
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-98-4), with molecular formula C22H27ClN6O3 and molecular weight 458.18 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of 1.85732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-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 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 862979-98-4.
What is the molecular formula of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C22H27ClN6O3.
What is the molecular weight of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 458.18 g/mol.
Where can I buy 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 8-[[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)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.