Basic information
- CAS
155814-28-1- Standard SMILES
C=CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC=C)c1=O- InChIKey
MAOSHAJGFFNTGN-PKNBQFBNSA-N- Molecular formula
- C22H24N4O4
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.17975526
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-bis(prop-2-enyl)purine-2,6-dione
- English name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-7-methyl-, (E)-
- Molecular formula
- C22H24N4O4
- Molecular weight
- 408.45
Names & synonyms
155814-28-11H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-7-methyl-, (E)-RefChem:1058413(E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)-7-methylxanthine8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-bis(prop-2-enyl)purine-2,6-dioneSCHEMBL77224691H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-7-methyl-, (E1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-7-methyl-, (E)-1H-Purine-2,6-dione, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-di-2-propenyl-, (E)- (9CI)
Database identifiers
- CAS
155814-28-1- PubChem CID
- 6448973
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Boiling point
- 619.8 · 619.8±65.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 0.18 · 0.18±0.70(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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