Home Other Building Blocks KPT-8602 (Z-isomer)

KPT-8602 (Z-isomer)

CAS No.:
1642300-78-4
Catalog Number:
AG00ABSM
Molecular Formula:
C17H10F6N6O
Molecular Weight:
428.2913
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
95%
1 week
United States
$290
- +
5mg
95%
1 week
United States
$540
- +
10mg
95%
1 week
United States
$707
- +
50mg
95%
1 week
United States
$1973
- +
Product Description
Catalog Number:
AG00ABSM
Chemical Name:
KPT-8602 (Z-isomer)
CAS Number:
1642300-78-4
Molecular Formula:
C17H10F6N6O
Molecular Weight:
428.2913
MDL Number:
MFCD30489756
IUPAC Name:
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
InChI:
InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6-
InChI Key:
JFBAVWVBLRIWHM-MLPAPPSSSA-N
SMILES:
NC(=O)/C(=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1cncnc1
UNII:
6T69TU098I
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
428.082g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
428.298g/mol
Monoisotopic Mass:
428.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties