Home Bromides 666816-98-4
666816-98-4,MFCD22126091
Catalog No.:AA0036WJ
666816-98-4 | 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
in stock  
$100.00   $70.00
- +
100mg
in stock  
$257.00   $180.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0036WJ
Chemical Name:
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
666816-98-4
Molecular Formula:
C10H9BrN4O2
Molecular Weight:
297.1081
MDL Number:
MFCD22126091
IUPAC Name:
8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
InChI:
InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
InChI Key:
HFZOBQSHTNNKFY-UHFFFAOYSA-N
SMILES:
CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
EC Number:
613-975-8
Properties
Computed Properties
 
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.991g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.112g/mol
Monoisotopic Mass:
295.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
666816-98-4 
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione 
CTK1J4420 
DTXSID40610667 
HFZOBQSHTNNKFY-UHFFFAOYSA-N 
BCP11176 
CS-M2665 
ANW-66745 
MFCD22126091 
ZINC83428815 
AKOS016007674 
ACN-028588 
8-broMo-7-(but-2-ynyl)-3-Methyl-1H-purine-2,6(3H,7H)-dione 
RL04543 
KS-00000Q51 
AC-27059 
AS-19141 
SC-66867 
AJ-125988 
TX-018073 
4CH-021851 
B4454 
FT-0698780 
8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione 
X4790 
3-methyl-7-(2-butin-1-yl)-8-bromoxanthine 
3-Methyl-7-(2-butine-1-yl)-8-bromoxanthine 
3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine 
3-methyl-7-(2-butyn-l-yl)-8-bromo-xanthine 
8-Bromo-7-but-2-ynyl-3-methyl-purine-2,6-dione 
A1-00287 
J-519399 
8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7 
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione 
1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl- 
C10H9BrN4O2 
CB12100 
CS-O-31413 
8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine] 
EC 613-975-8 
8-Bromo-7-but-2-inyl-3-methyl-3,7-dihydro-purin-2,6-dione 
8-BROMO-7-(BUT-2-YNYL)-3-METHYL-3,7-DIHYDROPURINE-2,6-DIONE 
3-METHYL-7-(2-BUTYN-1-YL)-8-BROMOXANTHINE 
8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 
8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine 
SCHEMBL497538 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products