CAS RN: 248936-60-9
2′,3,4-Trifluoro-4”-propyl-1,1′:4′,1”-terphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-120088
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
248936-60-9 / 1,2-difluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
Basic Information
CAS
248936-60-9
Multi CAS
No
Molecular Formula
C21H17F3
Molecular Weight
326.400000
Exact Mass
326.128235
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)F)F)F
InChI
InChI=1S/C21H17F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-18(20(23)12-16)17-9-11-19(22)21(24)13-17/h4-13H,2-3H2,1H3
InChIKey
MNDRQVSIWFDBFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
91.18
TPSA
0.0000
LogP / Solubility
WLOGP
6.39
MLOGP
5.64
XLogP3
6.8
Consensus LogP
6.28
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
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)
-0.17
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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