CAS RN: 871126-22-6
2-Fluoro-4-formylphenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-196679
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: 1
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
871126-22-6 / (2-fluoro-4-formylphenyl)boronic acid
Basic Information
CAS
871126-22-6
Multi CAS
No
Molecular Formula
BC7FH6O3
Molecular Weight
167.930000
Exact Mass
168.039402
InChI
InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H
InChIKey
OAEJODVYVOAOPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.61
TPSA
57.53
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.6
XLogP3
-0.68
Consensus LogP
-0.65
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.23
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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