![ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate structure](/static/products/851/851940-85-7.png)
ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 851940-85-7) is a chemical compound with molecular formula C17H25N7O5 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-[[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-((7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, Ethyl 4-[[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-8-yl] methyl}piperazinecarboxylate
| Molecular Formula | C17H25N7O5 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | -1.8069 |
| Topological Polar Surface Area | 137.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1917 |
| Heavy Atoms | 29 |
| Complexity | 1058.7769 |
Chemical Identifiers
| CAS Number | 851940-85-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C |
Product Overview
ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 851940-85-7), with molecular formula C17H25N7O5 and molecular weight 407.19 g/mol. IUPAC: ethyl 4-[[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
The XLogP value of -1.8069 indicates that ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate 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 ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 851940-85-7.
What is the molecular formula of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is C17H25N7O5.
What is the molecular weight of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 407.19 g/mol.
Where can I buy ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.