CAS RN: 851606-63-8
1-propylene-3-methylimidazolium tetrafluoroborate
- Product code: SSC-193347
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: ＞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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
851606-63-8 / 1-methyl-3-prop-2-enyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
Basic Information
CAS
851606-63-8
Multi CAS
Yes
Molecular Formula
BC7F4H13N2
Molecular Weight
212.000000
Exact Mass
212.110791
InChI
InChI=1S/C7H12N2.BF4/c1-3-4-9-6-5-8(2)7-9;2-1(3,4)5/h3,5-6H,1,4,7H2,2H3;/q;-1/p+1
InChIKey
YDKYQXSLIVXSLY-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.98
TPSA
7.68
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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
2
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