![Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate structure](/static/products/851/851940-55-1.png)
Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate
TL;DR: Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate (CAS 851940-55-1) 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.
ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate
Also Known As: Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate, ethyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate, ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate, ethyl 2-(1,3-dimethyl-2,6-dioxo-8-((4-phenylpiperazin-1-yl)methyl)-2,3-dihydro-1H-purin-7(6H)-yl)acetate, ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazinyl)methyl]-1,3,7-trihydro purin-7-yl}acetate
| Molecular Formula | C22H28N6O4 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 0.319 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2172 |
| Heavy Atoms | 32 |
| Complexity | 1235.27 |
Chemical Identifiers
| CAS Number | 851940-55-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate (CAS 851940-55-1), with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol. IUPAC: ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate.
Chemical Property Profile of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate
Property Insights of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate
The XLogP value of 0.319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate has 0 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 Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate?
The CAS number of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate is 851940-55-1.
What is the molecular formula of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate?
The molecular formula of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate is C22H28N6O4.
What is the molecular weight of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate?
The molecular weight of Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate is 440.22 g/mol.
Where can I buy Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate?
You can request a quote for Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-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 Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.