CAS RN: 76703-62-3

GAMMA-CYHALOTHRIN

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  • Product code: starshine_CAS76703-62-3
  • Purity/Analytical Methods: >99.0%
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76703-62-3 / [cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Standard CAS: 76703-62-3 Multi CAS: Yes

Basic Information

CAS
76703-62-3
Multi CAS
Yes
Molecular Formula
C23H19CLF3NO3
Molecular Weight
449.800000
Exact Mass
449.100556
InChI
InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1
InChIKey
ZXQYGBMAQZUVMI-GCMPRSNUSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
108.16
TPSA
59.32

LogP / Solubility

WLOGP
6.54
MLOGP
5.79
XLogP3
6.1
Consensus LogP
6.14
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
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)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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