7-Acetonyl-8-bromotheophylline
8-bromo-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
Also Known As: 7-acetonyl-8-bromotheophylline|BAS 02080989|8-bromo-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione|8-bromo-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione|8-bromo-1,3-dimethyl-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione|F1008-0317|8-bromo-1,3-dimethyl-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-Bromo-1,3-dimethyl-7-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione|8-bromo-1,3-dimethyl-7-(2-oxopropyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C10H11BrN4O3 |
|---|---|
| Molecular Weight | 314.00146 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.00146 |
| Monoisotopic Mass | 314.00146 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 19977-31-2 |
|---|---|
| SMILES | CC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
| InChIKey | ZZTWXVKYKRBBRD-UHFFFAOYSA-N |
Product Overview
7-Acetonyl-8-bromotheophylline (CAS 19977-31-2), with molecular formula C10H11BrN4O3 and molecular weight 314.00146 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione.
7-Acetonyl-8-bromotheophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
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