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 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H18N6O3 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.47928 |
| Topological Polar Surface Area | 117.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14404 |
| Heavy Atoms | 26 |
| Complexity | 1085.1044 |
Chemical Identifiers
| CAS Number | 121511-68-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C |
Product Overview
3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile (CAS 121511-68-0), with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol. IUPAC: 3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile.
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 1.47928 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 117.73 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
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 354.14 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile?
Yes, KEHONG BIO 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.