A1AR antagonist 6
2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1AR antagonist 6|Oprea1_004571|Oprea1_820651|BAS 00672972|AG-205/36410022|SR-01000466508-1|2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile|A0911/0042691|2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile|4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-amino-5,6,7,8-tetrahydroquinoline-3-car bonitrile|2-Amino-4-benzo[1,3]dioxol-5-yl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.11642 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Monoisotopic Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 329693-22-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4 |
| InChIKey | XLHNDQCQIVHZLN-UHFFFAOYSA-N |
Product Overview
A1AR antagonist 6 (CAS 329693-22-3), with molecular formula C17H15N3O2 and molecular weight 293.11642 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
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