![ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate structure](/static/products/862/862979-82-6.png)
ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
TL;DR: ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 862979-82-6) is a chemical compound with molecular formula C25H27N5O4 and molecular weight 461.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
Also Known As: ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate, 2-[8-[[bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester, ethyl 2-{8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate, ethyl 2-(8-{[bisbenzylamino]methyl}-3-methyl-2,6-dioxo-1,3,7-trihydropurin-7-y l)acetate, ethyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
| Molecular Formula | C25H27N5O4 |
|---|---|
| Molecular Weight | 461.21 g/mol |
| LogP | 2.1888 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.2063 |
| Heavy Atoms | 34 |
| Complexity | 1348.5961 |
Chemical Identifiers
| CAS Number | 862979-82-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 862979-82-6), with molecular formula C25H27N5O4 and molecular weight 461.21 g/mol. IUPAC: ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
Property Insights of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
The XLogP value of 2.1888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate 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 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The CAS number of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is 862979-82-6.
What is the molecular formula of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular formula of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is C25H27N5O4.
What is the molecular weight of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular weight of ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is 461.21 g/mol.
Where can I buy ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
You can request a quote for ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-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]-3-methyl-2,6-dioxopurin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.