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Ceranib-2

CAT: 0607-C3649-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C3649-25Size:25 mg
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Description
inhibitor of cellular ceramidase activity
CAS Number
1402830-75-4
Product Name Alternative
3-[3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-4-phenyl-2(1H)-quinolinone
Field of Research
Others Ceramidases
Purity
0.98
Form
A crystalline solid
Solubility
≤20mg/ml in DMSO;25mg/ml in dimethyl formamide
Smiles
O=C(N1)C(C(/C=C/C2=CC=C(OC)C=C2)=O)=C(C3=CC=CC=C3)C4=C1C=CC=C4
Molecular Formula
C25H19NO3
Molecular Weight
381.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ceranib-2
CAS Number1402830-75-4
PubChem CID72193861
IUPAC Name3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Molecular FormulaC25H19NO3
Molecular Weight381.4
XLogP4.5
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity666
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO3/c1-29-19-14-11-17(12-15-19)13-16-22(27)24-23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)26-25(24)28/h2-16H,1H3,(H,26,28)/b16-13+
InChIKey
YIJGNIIQDRGGFT-DTQAZKPQSA-N
Chemical Structure
2D Structure
2D structure of Ceranib-2
CAS: 1402830-75-4
CID: 72193861
Formula: C25H19NO3
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass381.13649347
Monoisotopic Mass381.13649347
Topological Polar Surface Area55.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity666
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