NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
8-bromo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
|
|
|
IUPAC Traditional name
|
8-bromo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
|
8-bromo-1,3,7-trimethylpurine-2,6-dione
|
|
|
Synonyms
|
Xanthobin
|
Xantobin
|
8-Bromocaffeine
|
Xanthobine
|
8-bromo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
0.51842153
|
LogD (pH = 7.4)
|
0.51842153
|
Log P
|
0.51842153
|
Molar Refractivity
|
57.456 cm3
|
Polarizability
|
21.005934 Å3
|
Polar Surface Area
|
58.44 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent