7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline
7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 5905|5-26-14-00031 (Beilstein Handbook Reference)|7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline|Theophylline, 7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)-|7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione|7-[3-[[2-Hydroxy-2-(p-hydroxyphenyl)ethyl]amino]butyl]theophyline|1H-Purine-2,6-dione, 3,7-dihydro-7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethyl-|7-(3-{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}butyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(3-{[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[3-[[2-Hydroxy-2-(p-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H25N5O4 |
|---|---|
| Molecular Weight | 387.19064 g/mol |
| LogP | 0.2411 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.19064 |
| Monoisotopic Mass | 387.19064 |
| Heavy Atoms | 28 |
| Complexity | 1080.6276 |
Chemical Identifiers
| CAS Number | 62401-89-2 |
|---|---|
| SMILES | CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC=C(C=C3)O)O |
Product Overview
7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline (CAS 62401-89-2), with molecular formula C19H25N5O4 and molecular weight 387.19064 g/mol. IUPAC: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione.
7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »