1-(beta,gamma-Epoxypropyl)-8-bromotheobromine
8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione
Also Known As: Sid 770303|KST-1B1533|1-(|A,|A-epoxypropyl)-8-bromotheobromine|1-(beta,gamma-Epoxypropyl)-8-bromotheobromine|8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione|1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3,7-dimethyl-1-(oxiranylmethyl)-|8-Bromo-3,7-dimethyl-1-[(oxiran-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C10H11BrN4O3 |
|---|---|
| Molecular Weight | 314.00146 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.00146 |
| Monoisotopic Mass | 314.00146 |
| Heavy Atoms | 18 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 2040-22-4 |
|---|---|
| SMILES | CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3CO3)C |
| InChIKey | DERCBYABBPFWFG-UHFFFAOYSA-N |
Product Overview
1-(beta,gamma-Epoxypropyl)-8-bromotheobromine (CAS 2040-22-4), with molecular formula C10H11BrN4O3 and molecular weight 314.00146 g/mol. IUPAC: 8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione.
1-(beta,gamma-Epoxypropyl)-8-bromotheobromine is a custom synthesis product. We offer services from milligram to kilogram scale.
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