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CAS 161050-58-4 METHOXYFENOZIDE molecular structure lightbox
CAS RN: 161050-58-4

METHOXYFENOZIDE

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  • Product code: starshine_CAS161050-58-4
  • Purity/Analytical Methods: >99.0%
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161050-58-4 / N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide

Standard CAS: 161050-58-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
161050-58-4
Multi CAS
No
Molecular Formula
C22H28N2O3
Molecular Weight
368.500000
Exact Mass
368.209993
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C
InChI
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
InChIKey
QCAWEPFNJXQPAN-UHFFFAOYSA-N

Physical Properties

Melting Point
206.2 - 208 °C MP: 204 - 20.6 °C /Technical/
Appearance
White powder
State
Solid
Storage Conditions
Do not store this material near food, feed or drinking water. The minimum recommended storage temperature for this material is 32 °F (0 °C). The maximum recommended storage temperature for this material is 104 °F (40 °C). Store in a well-ventilated area. Keep container tightly closed when not in use. /Intrepid 2F Insecticide/ Store in a cool dry well-ventilated area, but not below 32 °F. /Intrepid 2F Insecticide/

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.04
TPSA
58.64

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
4.6
Consensus LogP
4.18
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (69.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (69.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H411 (30.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H401: Toxic to aquatic life [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]
Precautionary Statement Codes
P273, P391, and P501

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