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CAS 82657-04-3 Bifenthrin molecular structure lightbox
CAS RN: 82657-04-3

Bifenthrin

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5 package records2 with current stock3 grade groups
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Batchno.20250330 100mg Out of stock Inquiry
Batchno.20250822 25mg Out of stock Inquiry
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Batchno.20260302 1ml In stock Inquiry
  • Product code: ICTB6293
  • Purity/Analytical Methods: >98.0%(GC)
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82657-04-3 / (2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Standard CAS: 82657-04-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82657-04-3
Multi CAS
Yes
Molecular Formula
C23H22CLF3O2
Molecular Weight
422.900000
Exact Mass
422.126042
InChI
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3
InChIKey
OMFRMAHOUUJSGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
107.16
TPSA
26.3

LogP / Solubility

WLOGP
6.66
MLOGP
5.89
XLogP3
6
Consensus LogP
6.18
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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