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Home Other Building Blocks 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol

2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol

CAS No.:
1359164-11-6
Catalog Number:
AG009F72
Molecular Formula:
C26H24F7N3O
Molecular Weight:
527.4771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$208
- +
10mg
≥98%
1 week
United States
$239
- +
Product Description
Catalog Number:
AG009F72
Chemical Name:
2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
CAS Number:
1359164-11-6
Molecular Formula:
C26H24F7N3O
Molecular Weight:
527.4771
MDL Number:
MFCD25563263
IUPAC Name:
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
InChI:
InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
InChI Key:
KVHKWAZUPPBMLL-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
698  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.181g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
527.487g/mol
Monoisotopic Mass:
527.181g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties