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Home Other Building Blocks 1,4-Bisbenzil

1,4-Bisbenzil

CAS No.:
3363-97-1
Catalog Number:
AG003DTE
Molecular Formula:
C22H14O4
Molecular Weight:
342.3442
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$53
- +
5g
95%
In Stock USA
United States
$190
- +
10g
95%
In Stock USA
United States
$339
- +
Product Description
Catalog Number:
AG003DTE
Chemical Name:
1,4-Bisbenzil
CAS Number:
3363-97-1
Molecular Formula:
C22H14O4
Molecular Weight:
342.3442
MDL Number:
MFCD00039561
IUPAC Name:
1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
InChI:
InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H
InChI Key:
FUEGWHHUYNHBNI-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1
NSC Number:
379518
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.089g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.35g/mol
Monoisotopic Mass:
342.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. Bioorganic & medicinal chemistry 20090101
Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. Journal of medicinal chemistry 20071115
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. Journal of medicinal chemistry 20050421
Properties