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CPPD-Q

CAT: 0013-GTR19241398-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241398-01Size:25 mg
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Description
CPPD-Q is a small molecule antimicrobial and insecticidal agent, effective against Vibrio fischeri (EC50 6.98 mg/L) . Research indicates its insecticidal action in Caenorhabditis elegans involves intestinal ROS induction at 1-10 μg/mL, supporting its use in microbiology and toxicology studies.
CAS Number
68054-78-4
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Signal Transduction
Smiles
O=C1C=C (NC2CCCCC2) C (=O) C=C1NC=3C=CC=CC3
Molecular Formula
C18H20N2O2
Molecular Weight
296.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Cyclohexylamino)-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione
CAS Number68054-78-4
PubChem CID12413093
IUPAC Name2-anilino-5-(cyclohexylamino)cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC18H20N2O2
Molecular Weight296.4
XLogP3.8
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity495
SMILES
C1CCC(CC1)NC2=CC(=O)C(=CC2=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14,19-20H,2,5-6,9-10H2
InChIKey
UBQBKNFAICQJRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclohexylamino)-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione
CAS: 68054-78-4
CID: 12413093
Formula: C18H20N2O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass296.152477885
Monoisotopic Mass296.152477885
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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