CAS RN: 51630-58-1
Fenvalerate solution, 100μg/mL,u=3%,in petroleum ether
Product Availability
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6 package records6 with current stock4 grade groups
- Product code: LINF809633
51630-58-1 / [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Basic Information
CAS
51630-58-1
Multi CAS
Yes
Molecular Formula
C25H22CLNO3
Molecular Weight
419.900000
Exact Mass
419.128821
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey
NYPJDWWKZLNGGM-UHFFFAOYSA-N
Physical Properties
Melting Point
39.5 - 53.7 °C
Boiling Point
Decomposes
Density
1.17 at 23 °C/4 °C
Relative density (water = 1): 1.2
Physical Description
Fenvalerate appears as a clear viscious yellow liquid with a mild odor. Used as broad spectrum insecticide.
Yellow liquid; [HSDB] Yellow or brown viscous liquid; [ICSC] Formulated as emulsifiable concentrates, ultra-low volume concentrates, dust powders, and wettable powders; [INCHEM HSG]
Solid
YELLOW OR BROWN VISCOUS LIQUID.
Appearance
Clear yellow viscous liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
116.44
TPSA
59.32
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
6.2
Consensus LogP
6.26
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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)
-0.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
