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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
804565-39-7 / potassium trifluoro-[(E)-prop-1-enyl]boranuide
Basic Information
CAS
804565-39-7
Multi CAS
Yes
Molecular Formula
BC3F3H5K
Molecular Weight
147.980000
Exact Mass
148.007346
InChI
InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2-3H,1H3;/q-1;+1/b3-2+;
InChIKey
RLDWVFWDURMTAV-SQQVDAMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
23.89
TPSA
0.0000
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.05
Consensus LogP
-1.01
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.37
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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