![ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate structure](/static/products/851/851941-03-2.png)
ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate (CAS 851941-03-2) is a chemical compound with molecular formula C20H32N6O4 and molecular weight 420.25 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-pentylpurin-8-yl)methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-((1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C20H32N6O4 |
|---|---|
| Molecular Weight | 420.25 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.2485 |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 851941-03-2 |
|---|---|
| SMILES | CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC |
| InChIKey | QWOHQTZMCSZWPY-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate (CAS 851941-03-2), with molecular formula C20H32N6O4 and molecular weight 420.25 g/mol. IUPAC: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-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-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-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-pentyl-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-pentyl-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-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate is 851941-03-2.
What is the molecular formula of ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-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-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate is C20H32N6O4.
What is the molecular weight of ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-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-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate is 420.25 g/mol.
Where can I buy ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-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-pentyl-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-pentyl-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-pentyl-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.