CAS RN: 226396-32-3
2,3,4-Trifluorophenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-110570
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
226396-32-3 / (2,3,4-trifluorophenyl)boronic acid
Basic Information
CAS
226396-32-3
Multi CAS
No
Molecular Formula
C6H4BF3O2
Molecular Weight
175.900000
Exact Mass
176.025644
SMILES
B(C1=C(C(=C(C=C1)F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChIKey
CLGIPVVEERQWSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.14
TPSA
40.46
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.19
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.95
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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