CAS RN: 81793-59-1
4-Fluoro-4′-(trans-4-pentylcyclohexyl)biphenyl
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260401 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTF1121
- Purity/Analytical Methods: >98.0%(GC)
81793-59-1 / 1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Basic Information
CAS
81793-59-1
Multi CAS
No
Molecular Formula
C23FH29
Molecular Weight
324.500000
Exact Mass
324.225329
InChI
InChI=1S/C23H29F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h10-19H,2-9H2,1H3
InChIKey
GIXAVGROVIRVPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
100.68
TPSA
0.0000
LogP / Solubility
WLOGP
7.35
MLOGP
6.48
XLogP3
8.6
Consensus LogP
7.48
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
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)
0.52
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
2.5
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![CAS 131819-24-4 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3466-jpgcontextbwfzdgvyfhjvb3r8mju0nzd8aw1hz2uvanblz3xoy2uvadk3lzg5mzi3mta3ndqwotqvvdm0njyuanbnfgvmoguxzmixngi4otnhzmvlyzg3njzlytljyjrmzty2ogvjyjjmndixymzizgnhn2u0nzu3ndc2mdniymi2owu.jpeg)