CAS RN: 936030-54-5
3-Ethenyl-1-(2-propen-1-yl)-1H-imidazolium tetrafluoroborate
- Product code: SSC-207910
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 | Shenzhen | Inquiry |
936030-54-5 / 1-ethenyl-3-prop-2-enylimidazol-3-ium tetrafluoroborate
Basic Information
CAS
936030-54-5
Multi CAS
Yes
Molecular Formula
BC8F4H11N2
Molecular Weight
221.990000
Exact Mass
222.095141
InChI
InChI=1S/C8H11N2.BF4/c1-3-5-10-7-6-9(4-2)8-10;2-1(3,4)5/h3-4,6-8H,1-2,5H2;/q+1;-1
InChIKey
DTVAFBUNEWEZLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
51.4
TPSA
8.81
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.4
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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