Home Other Building Blocks N-desmethyl Enzalutamide

N-desmethyl Enzalutamide

CAS No.:
1242137-16-1
Catalog Number:
AG009CDT
Molecular Formula:
C20H14F4N4O2S
Molecular Weight:
450.4094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$196
- +
10mg
99%
1 week
United States
$251
- +
50mg
99%
1 week
United States
$835
- +
100mg
99%
1 week
United States
$1446
- +
Product Description
Catalog Number:
AG009CDT
Chemical Name:
N-desmethyl Enzalutamide
CAS Number:
1242137-16-1
Molecular Formula:
C20H14F4N4O2S
Molecular Weight:
450.4094
MDL Number:
MFCD24386671
IUPAC Name:
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzamide
InChI:
InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)
InChI Key:
JSFOGZGIBIQRPU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)N1C(=S)N(C(C1=O)(C)C)c1ccc(c(c1)F)C(=O)N
Properties
Complexity:
824  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.077g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
450.412g/mol
Monoisotopic Mass:
450.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties