![ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate structure](/static/products/862/862979-57-5.png)
ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 862979-57-5) 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-[[7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-[[7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-1,3,7-trihydropuri n-8-yl}methyl)piperazinecarboxylate, ETHYL 4-({7-[(2,5-DIMETHYLPHENYL)METHYL]-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}METHYL)PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C23H30N6O4 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 1.36254 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.23285 |
| Heavy Atoms | 33 |
| Complexity | 1296.7495 |
Chemical Identifiers
| CAS Number | 862979-57-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC(=C4)C)C)C(=O)NC(=O)N3C |
Product Overview
ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate (CAS 862979-57-5), with molecular formula C23H30N6O4 and molecular weight 454.23 g/mol. IUPAC: ethyl 4-[[7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
The XLogP value of 1.36254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-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-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate has 1 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-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 862979-57-5.
What is the molecular formula of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is C23H30N6O4.
What is the molecular weight of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate is 454.23 g/mol.
Where can I buy ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-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-(2,5-dimethylbenzyl)-3-methyl-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-(2,5-dimethylbenzyl)-3-methyl-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-(2,5-dimethylbenzyl)-3-methyl-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.