Home Other Building Blocks (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

CAS No.:
1227163-84-9
Catalog Number:
AG009CMV
Molecular Formula:
C24H16F3N5
Molecular Weight:
431.4125
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$273
- +
10mg
99%
1 week
United States
$390
- +
25mg
99%
1 week
United States
$723
- +
50mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG009CMV
Chemical Name:
(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CAS Number:
1227163-84-9
Molecular Formula:
C24H16F3N5
Molecular Weight:
431.4125
MDL Number:
MFCD25976574
IUPAC Name:
(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
InChI:
InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1
InChI Key:
MRXBCEQZNKUUIP-DEOSSOPVSA-N
SMILES:
FC(c1nccc(c1)[C@@]1(N=C(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F
UNII:
I8ID590133
Properties
Complexity:
685  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
431.136g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
431.422g/mol
Monoisotopic Mass:
431.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties