Home Other Building Blocks 2,6-Dibenzylidenecyclohexanone

2,6-Dibenzylidenecyclohexanone

CAS No.:
897-78-9
Catalog Number:
AG003G1Z
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$72
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Product Description
Catalog Number:
AG003G1Z
Chemical Name:
2,6-Dibenzylidenecyclohexanone
CAS Number:
897-78-9
MDL Number:
MFCD00019516
IUPAC Name:
(2E,6E)-2,6-dibenzylidenecyclohexan-1-one
InChI:
InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+
InChI Key:
CTKKGXDAWIAYSA-JSAVKQRWSA-N
EC Number:
212-981-4
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
274.136g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.363g/mol
Monoisotopic Mass:
274.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Synthesis and structure-affinity relationships of novel dibenzylideneacetone derivatives as probes for β-amyloid plaques. Journal of medicinal chemistry 20110414
Molecular structure and vibrational spectra of 2,6-bis(benzylidene)cyclohexanone: a density functional theoretical study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110101
A novel compound C12 inhibits inflammatory cytokine production and protects from inflammatory injury in vivo. PloS one 20110101
A facile synthesis of alpha,alpha'-(EE)-bis(benzylidene)-cycloalkanones and their antitubercular evaluations. European journal of medicinal chemistry 20090401
Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. European journal of medicinal chemistry 20080801
E,E-2-Benzylidene-6-(nitrobenzylidene)cyclohexanones: syntheses, cytotoxicity and an examination of some of their electronic, steric, and hydrophobic properties. Bioorganic & medicinal chemistry 20080601
CoMFA and CoMSIA studies on 1,3-bis(benzylidene)-3,4-dihydro-1H-naphthalen-2-one, 2,6-bis(benzylidene)cyclohexanone, and 3,5-bis(benzylidene)-4-piperidone series of cytotoxic compounds. Journal of chemical information and modeling 20070101
Design, synthesis, and biological evaluation of angiogenesis inhibitors: aromatic enone and dienone analogues of curcumin. Bioorganic & medicinal chemistry letters 20030106
Properties