CAS RN: 850313-92-7
POTASSIUM 2-HYDROXYPHENYLTRIFLUOROBORATE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-192919
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 |
850313-92-7 / potassium trifluoro-(2-hydroxyphenyl)boranuide
Basic Information
CAS
850313-92-7
Multi CAS
Yes
Molecular Formula
BC6F3H5KO
Molecular Weight
200.010000
Exact Mass
200.002261
InChI
InChI=1S/C6H5BF3O.K/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4,11H;/q-1;+1
InChIKey
GNJVFVXTMQKQGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.82
TPSA
20.23
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.36
XLogP3
-1.55
Consensus LogP
-1.49
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.21
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)
-5.04
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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