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Shp099

CAS No.:
1801747-42-1
Catalog Number:
AG0021R0
Molecular Formula:
C16H19Cl2N5
Molecular Weight:
352.2616
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$150
- +
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$946
- +
Product Description
Catalog Number:
AG0021R0
Chemical Name:
Shp099
CAS Number:
1801747-42-1
Molecular Formula:
C16H19Cl2N5
Molecular Weight:
352.2616
MDL Number:
MFCD29059453
IUPAC Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
InChI:
InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChI Key:
YGUFCDOEKKVKJK-UHFFFAOYSA-N
SMILES:
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.102g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.263g/mol
Monoisotopic Mass:
351.102g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Change in the kinetics of sulphacetamide tissue distribution in Walker tumor-bearing rats. Drug metabolism and disposition: the biological fate of chemicals 19750101
Properties