![ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate structure](/static/products/859/859665-27-3.png)
ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
TL;DR: ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate (CAS 859665-27-3) is a chemical compound with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate
Also Known As: ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate, ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate, ethyl [7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]acetate
| Molecular Formula | C20H21N5O5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 0.9251 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.15427 |
| Heavy Atoms | 30 |
| Complexity | 1387.9779 |
Chemical Identifiers
| CAS Number | 859665-27-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC |
Product Overview
ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate (CAS 859665-27-3), with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol. IUPAC: ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate.
Chemical Property Profile of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
Property Insights of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
The XLogP value of 0.9251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate. The TPSA of 101.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-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-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The CAS number of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is 859665-27-3.
What is the molecular formula of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The molecular formula of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is C20H21N5O5.
What is the molecular weight of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The molecular weight of ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is 411.15 g/mol.
Where can I buy ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
You can request a quote for ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-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-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.