3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
TL;DR: 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile (CAS 121511-68-0) is a chemical compound with molecular formula C17H18N6O3 and molecular weight 354.14404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile, 3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile, 3-{8-[(4-ethoxyphenyl)amino]-6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl}propanenitrile
Technical Specifications
| Molecular Formula | C17H18N6O3 |
| Molecular Weight | 354.14404 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14404 Da |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
| SMILES | CCOC1=CC=C(C=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C |
| InChIKey | ANOBGCVSMGHYRR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
Property Insights of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
The CAS number of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile is 121511-68-0.
What is the molecular formula of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
The molecular formula of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile is C17H18N6O3.
What is the molecular weight of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
The molecular weight of 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile is 354.14404 g/mol.
Where can I buy 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
You can request a quote for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.