![2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide structure](/static/products/862/862979-86-0.png)
2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
TL;DR: 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide (CAS 862979-86-0) is a chemical compound with molecular formula C20H24ClN7O3 and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxopurin-7-yl]acetamide
Also Known As: 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide, 2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxopurin-7-yl]acetamide, 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, 2-(8-{[4-(5-chloro-2-methylphenyl)piperazinyl]methyl}-3-methyl-2,6-dioxo-1,3,7 -trihydropurin-7-yl)acetamide, 2-[8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxo-purin-7-yl]acetamide
| Molecular Formula | C20H24ClN7O3 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 0.19262 |
| Topological Polar Surface Area | 122.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1629 |
| Heavy Atoms | 31 |
| Complexity | 1268.2397 |
Chemical Identifiers
| CAS Number | 862979-86-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(=O)N)C(=O)NC(=O)N4C |
Product Overview
2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide (CAS 862979-86-0), with molecular formula C20H24ClN7O3 and molecular weight 445.16 g/mol. IUPAC: 2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxopurin-7-yl]acetamide.
Chemical Property Profile of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
Property Insights of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
The XLogP value of 0.19262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide. The TPSA of 122.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide. Following Lipinski's Rule of Five, 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide has 2 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 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide?
The CAS number of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide is 862979-86-0.
What is the molecular formula of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide?
The molecular formula of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide is C20H24ClN7O3.
What is the molecular weight of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide?
The molecular weight of 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide is 445.16 g/mol.
Where can I buy 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide?
You can request a quote for 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.