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Sisapronil

CAT: 0931-T28785-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28785-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
856225-89-3
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Sisapronil is a member of the phenylpyrazole class of antiparasitics.
Smiles
N#CC1=NN(C(N)=C1C2(CC2(F)F)C(F)(F)F)C3=C(Cl)C=C(C=C3Cl)C(F)(F)F
Molecular Formula
C15H6Cl2F8N4
Molecular Weight
465.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sisapronil
CAS Number856225-89-3
PubChem CID11236633
IUPAC Name5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile
Molecular FormulaC15H6Cl2F8N4
Molecular Weight465.1
XLogP5.7
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity695
SMILES
C1C(C1(F)F)(C2=C(N(N=C2C#N)C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)N)C(F)(F)F
InChI
InChI=1S/C15H6Cl2F8N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2
InChIKey
VBAVKJPWXSLDSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sisapronil
CAS: 856225-89-3
CID: 11236633
Formula: C15H6Cl2F8N4
MW: 465.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.1
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass463.9841769
Monoisotopic Mass463.9841769
Topological Polar Surface Area67.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-111279-01Sisapronil

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