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: 25ml
- Available purity: 51 to 57 wt% HBF4
- 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 |
|---|---|---|---|---|
| 25ml | 51 to 57 wt% HBF4 | 0 Out of Stock | Shenzhen | Inquiry |
67969-82-8 / ethoxyethane;trifluoroborane;hydrofluoride
Basic Information
CAS
67969-82-8
Multi CAS
Yes
Molecular Formula
BC4F4H11O
Molecular Weight
161.940000
Exact Mass
162.083908
InChI
InChI=1S/C4H10O.BF4/c1-3-5-4-2;2-1(3,4)5/h3-4H2,1-2H3;/q;-1/p+1
InChIKey
JDQHPOVUCKSJFJ-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.75
TPSA
9.23
LogP / Solubility
WLOGP
2.08
MLOGP
1.82
XLogP3
2.08
Consensus LogP
1.99
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.23
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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- CAS RN: 67984-94-5
- Product Code: SSC-177722
