CAS RN: 435-08-5
1,1,2,2-Tetrakis(4-fluorophenyl)ethene
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS435-08-5
- Purity/Analytical Methods: >99.0%
435-08-5 / 1-fluoro-4-[1,2,2-tris(4-fluorophenyl)ethenyl]benzene
Basic Information
CAS
435-08-5
Multi CAS
Yes
Molecular Formula
C26F4H16
Molecular Weight
404.400000
Exact Mass
404.118813
InChI
InChI=1S/C26H16F4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H
InChIKey
LXTWRLICBHFDFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
110.62
TPSA
0.0000
LogP / Solubility
WLOGP
7.25
MLOGP
6.4
XLogP3
8.4
Consensus LogP
7.35
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
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)
-0.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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