AC1LDEBY
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: Oprea1_277219|BAS 07417150|AM-807/13103077|2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile|2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile|2-AMINO-4-(7-METHOXY-2H-1,3-BENZODIOXOL-5-YL)-7-METHYL-5-OXO-4H,5H-PYRANO[3,2-C]PYRAN-3-CARBONITRILE|2-Amino-4-(7-methoxy-benzo[1,3]dioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile|2-amino-4-(7-methoxybenzo[d][1,3]dioxol-5-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.08517 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.08517 |
| Monoisotopic Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 354554-45-3 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C(=O)O1 |
| InChIKey | LEMYLEOOQWKHGO-UHFFFAOYSA-N |
Product Overview
AC1LDEBY (CAS 354554-45-3), with molecular formula C18H14N2O6 and molecular weight 354.08517 g/mol. IUPAC: 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
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