AC1N9CWA
8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione
Also Known As: 8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione|7-(2-([1,1'-biphenyl]-4-yl)-2-oxo-1-phenylethyl)-8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-[2-(biphenyl-4-yl)-2-oxo-1-phenylethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS: 799787-01-2
| Molecular Formula | C27H21BrN4O3 |
|---|---|
| Molecular Weight | 528.0797 g/mol |
| LogP | 4.3355 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.0797 |
| Monoisotopic Mass | 528.0797 |
| Heavy Atoms | 35 |
| Complexity | 1668.1774 |
Chemical Identifiers
| CAS Number | 799787-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
AC1N9CWA (CAS 799787-01-2), with molecular formula C27H21BrN4O3 and molecular weight 528.0797 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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