![ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate structure](/static/products/838/838875-49-3.png)
ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 838875-49-3) is a chemical compound with molecular formula C23H30N6O4 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, Ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-((1,3-dimethyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-1,3,7-trihydropurin-8-yl]me thyl}piperazinecarboxylate
| Molecular Formula | C23H30N6O4 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 0.9505 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.23285 |
| Heavy Atoms | 33 |
| Complexity | 1251.9227 |
Chemical Identifiers
| CAS Number | 838875-49-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 838875-49-3), with molecular formula C23H30N6O4 and molecular weight 454.23 g/mol. IUPAC: ethyl 4-[[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
The XLogP value of 0.9505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate has 0 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 ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 838875-49-3.
What is the molecular formula of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is C23H30N6O4.
What is the molecular weight of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 454.23 g/mol.
Where can I buy ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-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-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-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.