CAS RN: 650634-92-7
1,1′-Biphenyl, 4-(trans-4-ethylcyclohexyl)-4′-(trifluoromethoxy)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS650634-92-7
- Purity/Analytical Methods: >99.0%
650634-92-7 / 1-(4-ethylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene
Basic Information
CAS
650634-92-7
Multi CAS
No
Molecular Formula
C21F3H23O
Molecular Weight
348.400000
Exact Mass
348.170100
InChI
InChI=1S/C21H23F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h7-16H,2-6H2,1H3
InChIKey
UKPTVLGWOKOZRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
93.55
TPSA
9.23
LogP / Solubility
WLOGP
6.94
MLOGP
6.12
XLogP3
8.1
Consensus LogP
7.05
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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
No
Log Kp (skin permeation)
0.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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