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BAY-876

CAS No.:
1799753-84-6
Catalog Number:
AG0021JG
Molecular Formula:
C24H16F4N6O2
Molecular Weight:
496.4165
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
2mg
98%
1 week
United States
$190
- +
5mg
98%
1 week
United States
$223
- +
10mg
98%
1 week
United States
$307
- +
25mg
≥98%
1 week
United States
$711
- +
50mg
98%
1 week
United States
$807
- +
100mg
98%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG0021JG
Chemical Name:
BAY-876
CAS Number:
1799753-84-6
Molecular Formula:
C24H16F4N6O2
Molecular Weight:
496.4165
MDL Number:
MFCD30377201
IUPAC Name:
4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
InChI:
InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)
InChI Key:
BKLJDIJJOOQUFG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cn1nc(c(c1C)NC(=O)c1cc(nc2c1ccc(c2)F)C(=O)N)C(F)(F)F
Properties
Complexity:
870  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.127g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
496.426g/mol
Monoisotopic Mass:
496.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties