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Cnx-2006

CAS No.:
1375465-09-0
Catalog Number:
AG009CAL
Molecular Formula:
C26H27F4N7O2
Molecular Weight:
545.5319
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$189
- +
10mg
99%
1 week
United States
$279
- +
50mg
99%
1 week
United States
$779
- +
100mg
99%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG009CAL
Chemical Name:
Cnx-2006
CAS Number:
1375465-09-0
Molecular Formula:
C26H27F4N7O2
Molecular Weight:
545.5319
MDL Number:
MFCD26142654
IUPAC Name:
N-[3-[[2-[4-[[1-(2-fluoroethyl)azetidin-3-yl]amino]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36)
InChI Key:
BFSRTTWIPACGMI-UHFFFAOYSA-N
SMILES:
FCCN1CC(C1)Nc1ccc(c(c1)OC)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)C(F)(F)F
Properties
Complexity:
801  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.216g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
545.543g/mol
Monoisotopic Mass:
545.216g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties