![CAS 1542163-53-0 Potassium Trifluoro[3-(methoxymethoxy)phenyl]borate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1542163-53-0.gif)
CAS RN: 1542163-53-0
Potassium Trifluoro[3-(methoxymethoxy)phenyl]borate
- Product code: SSC-063586
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 | Shanghai | Inquiry |
1542163-53-0 / potassium trifluoro-[3-(methoxymethoxy)phenyl]boranuide
Basic Information
CAS
1542163-53-0
Multi CAS
No
Molecular Formula
C8H9BF3KO2
Molecular Weight
244.060000
Exact Mass
244.028476
SMILES
[B-](C1=CC(=CC=C1)OCOC)(F)(F)F.[K+]
InChI
InChI=1S/C8H9BF3O2.K/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12;/h2-5H,6H2,1H3;/q-1;+1
InChIKey
WJCACGHHIDVRQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
47.66
TPSA
18.46
LogP / Solubility
WLOGP
-1.27
MLOGP
-1.11
XLogP3
-1.27
Consensus LogP
-1.22
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-5.11
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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![CAS 1542274-12-3 [1,1′:4′,1”-Terphenyl]-2′,3,3”,5,5′,5”-hexacarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1542274-12-3.gif)
