Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
TL;DR: Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate (CAS 477333-69-0) is a chemical compound with molecular formula C13H18N6O4 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
Also Known As: Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)acetate, methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
| Molecular Formula | C13H18N6O4 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -1.9941 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.13895 |
| Heavy Atoms | 23 |
| Complexity | 857.6975 |
Chemical Identifiers
| CAS Number | 477333-69-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(=O)OC |
Product Overview
Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate (CAS 477333-69-0), with molecular formula C13H18N6O4 and molecular weight 322.14 g/mol. IUPAC: methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate.
Chemical Property Profile of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
Property Insights of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
The XLogP value of -1.9941 indicates that Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate has 2 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-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate?
The CAS number of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate is 477333-69-0.
What is the molecular formula of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate?
The molecular formula of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate is C13H18N6O4.
What is the molecular weight of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate?
The molecular weight of Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate is 322.14 g/mol.
Where can I buy Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate?
You can request a quote for Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-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-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.