AC1LBSSO
2-(3-bromo-6-hydroxy-9-oxo-8,13,15-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6-trien-4-yl)ethyl-methylcyanamide
Also Known As: 3-bromo-4-{2-[cyano(methyl)amino]ethyl}-6-hydroxy-8,13,15-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6-trien-9-one|Cyanamide, [2-(1-bromo-6a,7,7a,10a,11,11a-hexahydro-4-hydroxy-6-oxo-6H-[1,3]benzodioxolo[5,6-c][1]benzopyran-2-yl)ethyl]methyl-|N-[2-(1-bromo-6a,7,7a,10a,11,11a-hexahydro-4-hydroxy-6-oxo-6h-[1,3]benzodioxolo[5,6-c][1]benzopyran-2-yl)ethyl ]-N-methylcyanamide|N-[2-(1-Bromo-6a,7,7a,10a,11,11a-hexahydro-4-hydroxy-6-oxo-6H-[1,3]benzodioxolo[5,6-c][1]benzopyran-2-yl)ethyl]-N-methylcyanamide
| Molecular Formula | C18H19BrN2O5 |
|---|---|
| Molecular Weight | 422.04773 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.04773 |
| Monoisotopic Mass | 422.04773 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 55401-69-9 |
|---|---|
| SMILES | CN(CCC1=CC(=C2C(=C1Br)C3CC4C(CC3C(=O)O2)OCO4)O)C#N |
| InChIKey | ORFAVQXTIDFBQI-UHFFFAOYSA-N |
Product Overview
AC1LBSSO (CAS 55401-69-9), with molecular formula C18H19BrN2O5 and molecular weight 422.04773 g/mol. IUPAC: 2-(3-bromo-6-hydroxy-9-oxo-8,13,15-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6-trien-4-yl)ethyl-methylcyanamide.
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