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: 10g
- 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 |
|---|---|---|---|---|
| 10g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
151200-14-5 / 3-methyl-1H-imidazol-3-ium tetrafluoroborate
Basic Information
CAS
151200-14-5
Multi CAS
No
Molecular Formula
C4H7BF4N2
Molecular Weight
169.920000
Exact Mass
170.063841
SMILES
[B-](F)(F)(F)F.C[N+]1=CNC=C1
InChI
InChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKey
ULUZIIYGBKXRGN-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
5
H-bond donors
1
Molar refractivity
32.15
TPSA
19.67
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.14
Consensus LogP
1.09
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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