![Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate structure](/static/products/895/895833-02-0.png)
Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate
TL;DR: Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate (CAS 895833-02-0) is a chemical compound with molecular formula C20H24N6O4 and molecular weight 412.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate
Also Known As: VU0491809-1, F2636-0211, methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate, methyl [4-(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)piperazin-1-yl]acetate, methyl 2-(4-(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
| Molecular Formula | C20H24N6O4 |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | -0.2334 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1859 |
| Heavy Atoms | 30 |
| Complexity | 1171.7102 |
Chemical Identifiers
| CAS Number | 895833-02-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CC4=CC=CC=C4 |
Product Overview
Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate (CAS 895833-02-0), with molecular formula C20H24N6O4 and molecular weight 412.19 g/mol. IUPAC: methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate.
Chemical Property Profile of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate
Property Insights of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate
The XLogP value of -0.2334 indicates that Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate 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 Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate?
The CAS number of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate is 895833-02-0.
What is the molecular formula of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate?
The molecular formula of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate is C20H24N6O4.
What is the molecular weight of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate?
The molecular weight of Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate is 412.19 g/mol.
Where can I buy Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate?
You can request a quote for Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.