![CAS 473257-14-6 Benzene, 2,3-difluoro-1-propoxy-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/473257-14-6.gif)
CAS RN: 473257-14-6
Benzene, 2,3-difluoro-1-propoxy-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250827 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS473257-14-6
- Purity/Analytical Methods: >99.0%
473257-14-6 / 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Basic Information
CAS
473257-14-6
Multi CAS
No
Molecular Formula
C24F2H36O
Molecular Weight
378.500000
Exact Mass
378.273422
InChI
InChI=1S/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3
InChIKey
WGONOKAJJBMHGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
107.2
TPSA
9.23
LogP / Solubility
WLOGP
7.63
MLOGP
6.74
XLogP3
9.3
Consensus LogP
7.89
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.39
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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