Home Sulfos 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

CAS No.:
139756-22-2
Catalog Number:
AG001BNR
Molecular Formula:
C17H19ClN4O4S
Molecular Weight:
410.8752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$307
- +
10g
97%
In Stock USA
United States
$563
- +
25g
97%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG001BNR
Chemical Name:
5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CAS Number:
139756-22-2
Molecular Formula:
C17H19ClN4O4S
Molecular Weight:
410.8752
MDL Number:
MFCD09753597
IUPAC Name:
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C17H19ClN4O4S/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(27(18,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,23)
InChI Key:
RVVOSOSBFSYZDM-UHFFFAOYSA-N
SMILES:
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)Cl)C
UNII:
2Y70Q28MLE
Properties
Complexity:
696  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.082g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
410.873g/mol
Monoisotopic Mass:
410.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties