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Spirodiclofen (Standard)

CAT: 0804-HY-B0826R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0826R-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Spirodiclofen (BAJ-2740) (Standard) is the analytical standard of Spirodiclofen. This product is intended for research and analytical applications. Spirodiclofen is a broad spectrum acaricide acting via lipid biosynthesis inhibition (LBI) with no cross resistance to currently available acaricides and with additional insecticidal properties.
CAS Number
148477-71-8
Product Name Alternative
BAJ-2740 (Standard)
UNSPSC
12352005
Target
Parasite; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/spirodiclofen-standard.html
Smiles
CCC(C)(C)C(OC1=C(C2=CC=C(Cl)C=C2Cl)C(OC13CCCCC3)=O)=O
Molecular Formula
C21H24Cl2O4
Molecular Weight
411.32
References & Citations
[1]De Maeyer L, et al. The multiple target use of spirodiclofen (Envidor 240 SC) in IPM pomefruit in Belgium. Commun Agric Appl Biol Sci. 2009;74 (1) :225-232.|[2]Shi, Y. H., et al., (2017) . Factors Affecting the Bioaccessibility and Intestinal Transport of Difenoconazole, Hexaconazole, and Spirodiclofen in Human Caco-2 Cells Following in Vitro Digestion. Journal of agricultural and food chemistry, 65 (41), 9139–9146.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Spirodiclofen

Spirodiclofen can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number148477-71-8
PubChem CID177863
IUPAC Name[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate
Molecular FormulaC21H24Cl2O4
Molecular Weight411.3
XLogP5.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity634
SMILES
CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
InChIKey
DTDSAWVUFPGDMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spirodiclofen
CAS: 148477-71-8
CID: 177863
Formula: C21H24Cl2O4
MW: 411.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.3
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass410.1051646
Monoisotopic Mass410.1051646
Topological Polar Surface Area52.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity634
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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