CAS RN: 82832-57-3
trans,trans-4-(3,4-Difluorophenyl)-4′-propylbicyclohexyl
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-190877
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
82832-57-3 / 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Basic Information
CAS
82832-57-3
Multi CAS
Yes
Molecular Formula
C21F2H30
Molecular Weight
320.500000
Exact Mass
320.231557
InChI
InChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3
InChIKey
FSWZOZXLWVWJAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
91.41
TPSA
0.0000
LogP / Solubility
WLOGP
6.85
MLOGP
6.04
XLogP3
8.4
Consensus LogP
7.1
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
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
No
Log Kp (skin permeation)
0.19
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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