CAS RN: 102851-06-9
Tau-fluvalinate solution, 100μg/ml,u=3%
Product Availability
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2 package records0 with current stock1 grade group
- Product code: LINT809761
102851-06-9 / [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
Tau-fluvalinate | Klartan | Fluvarol
Basic Information
CAS
102851-06-9
Multi CAS
Yes
Molecular Formula
C26H22ClF3N2O3
Molecular Weight
502.900000
Exact Mass
502.127105
SMILES
CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl
InChI
InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
InChIKey
INISTDXBRIBGOC-XMMISQBUSA-N
Synonyms
Tau-fluvalinate
Klartan
Fluvarol
Fluwarol
DTXSID7037555
Physical Properties
Physical Description
Yellow viscous liquid; Formulated as flowable concentrate and impregnated strips (bee hives); [Reference #1] Colorless viscous liquid; Formulated as an oil in water emulsion; [EFSA]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
126.11
TPSA
71.35
LogP / Solubility
WLOGP
7.4
MLOGP
6.54
XLogP3
7.7
Consensus LogP
7.21
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Acute Toxic
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501
P210, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P319, P320, P321, P330, P333+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501
P203, P260, P264, P270, P271, P280, P284, P301+P316, P304+P340, P308+P316, P316, P318, P319, P320, P321, P330, P403+P233, P405, and P501
