CAS RN: 68359-37-5
β-Cyfluthrin solution, 100μg/mL, u=4% in hexane
Product Availability
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4 package records2 with current stock2 grade groups
- Product code: LINC805104
68359-37-5 / [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Basic Information
CAS
68359-37-5
Multi CAS
Yes
Molecular Formula
C22H18CL2FNO3
Molecular Weight
434.300000
Exact Mass
433.064777
InChI
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
InChIKey
QQODLKZGRKWIFG-UHFFFAOYSA-N
Physical Properties
Melting Point
60 °C
Crystals from m-hexane; mp: 68-69 °C; specific optical rotation: -2.1 deg at 20 °C/D (concentration by volume= 1.0 g in 100 ml chloroform) /(1R)(3S)(alpha S)-cyfluthrin/
Crystals; mp: 50-52 °C; specific optical rotation: +24.5 deg at 20 °C/D (concentration by volume= 1.0 g in 100 ml chloroform) /(1R)(3R)(alpha S)- Cyfluthrin/
Density
1.34 g/cu cm at 22 °C
Density (at 20 °C): 1.27 g/cm³
Physical Description
Cyfluthrin appears as a viscous amber partly crystalline oil. Used as an insecticide.
Yellowish-brown liquid or colorless solid; [HSDB] Brown solid;
BROWN CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Yellowish-brown oil
Colorless crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
107.91
TPSA
59.32
LogP / Solubility
WLOGP
6.32
MLOGP
5.59
XLogP3
6.2
Consensus LogP
6.04
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
