![ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate structure](/static/products/893/893960-79-7.png)
ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate
TL;DR: ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate (CAS 893960-79-7) is a chemical compound with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-methyl-1,3-dioxo-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate, ethyl 4-(1-methyl-2,4-dioxo-3-(3-phenylpropyl)-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate, ethyl 4-[4-methyl-1,3-dioxo-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate
| Molecular Formula | C26H27N5O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 2.8579 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2063 |
| Heavy Atoms | 35 |
| Complexity | 1499.5199 |
Chemical Identifiers
| CAS Number | 893960-79-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCC5=CC=CC=C5 |
Product Overview
ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate (CAS 893960-79-7), with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol. IUPAC: ethyl 4-[4-methyl-1,3-dioxo-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate
Property Insights of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate
The XLogP value of 2.8579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate 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-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate?
The CAS number of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate is 893960-79-7.
What is the molecular formula of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate?
The molecular formula of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate is C26H27N5O4.
What is the molecular weight of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate?
The molecular weight of ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate is 473.21 g/mol.
Where can I buy ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate?
You can request a quote for ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate 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-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[1-methyl-2,4-dioxo-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.