![Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate structure](/static/products/851/851940-52-8.png)
Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
TL;DR: Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate (CAS 851940-52-8) is a chemical compound with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, ethyl {8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate, ethyl 2-{8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate, ethyl 2-(8-((dibenzylamino)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, ethyl 2-(8-{[bisbenzylamino]methyl}-1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin -7-yl)acetate
| Molecular Formula | C26H29N5O4 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.22195 |
| Heavy Atoms | 35 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 851940-52-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | KZYHGSOKIKHECJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate (CAS 851940-52-8), with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol. IUPAC: ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Property Insights of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate 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 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate?
The CAS number of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate is 851940-52-8.
What is the molecular formula of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate?
The molecular formula of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate is C26H29N5O4.
What is the molecular weight of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate?
The molecular weight of Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate is 475.22 g/mol.
Where can I buy Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate?
You can request a quote for Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-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-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.