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(Z) -α-Cyanostilbene

CAT: 0931-T60244-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60244-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6114-57-4
Target
Others
Related Pathways
Others
Bioactivity
(Z) -α-Cyanostilbene (compound 8), a dicyano-substituted acrylonitrile, exhibits selective antiproliferative effects on HeLa and HepG2 cells, with IC50 values of 0.33 and 0.52 μM, respectively [1].
Smiles
C(=C\C1=CC=CC=C1)(\C#N)/C2=CC=CC=C2
Molecular Formula
C15H11N
Molecular Weight
205.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Z)-2,3-diphenylacrylonitrile

isolated from Persian Gulf sea cucumber Holothuria parva; has antineoplastic properties

CAS Number6114-57-4
PubChem CID1268119
IUPAC Name(Z)-2,3-diphenylprop-2-enenitrile
Molecular FormulaC15H11N
Molecular Weight205.25
XLogP3.7
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2
InChI
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11+
InChIKey
VFOKYTYWXOYPOX-RVDMUPIBSA-N
Chemical Structure
2D Structure
2D structure of (Z)-2,3-diphenylacrylonitrile
CAS: 6114-57-4
CID: 1268119
Formula: C15H11N
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass205.089149355
Monoisotopic Mass205.089149355
Topological Polar Surface Area23.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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