CAS RN: 157310-73-1
1-propenyl-2,3-diMethyliMidazoliuM hexafluorophosphate
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.20260613 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-066347
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
157310-73-1 / 1,2-dimethyl-3-propylimidazol-1-ium hexafluorophosphate
Basic Information
CAS
157310-73-1
Multi CAS
No
Molecular Formula
C8H15F6N2P
Molecular Weight
284.180000
Exact Mass
284.087704
SMILES
CCCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C8H15N2.F6P/c1-4-5-10-7-6-9(3)8(10)2;1-7(2,3,4,5)6/h6-7H,4-5H2,1-3H3;/q+1;-1
InChIKey
KTGUTSXSBOOTCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.2
TPSA
8.81
LogP / Solubility
WLOGP
4.41
MLOGP
3.89
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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