CAS RN: 481681-02-1
4-Fluoro-3-(hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 250mg / 1g / 5g / 25g | Out of stock | 3-5 business days | Inquiry |
- Product code: SSC-155124
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
481681-02-1 / [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
Basic Information
CAS
481681-02-1
Multi CAS
Yes
Molecular Formula
BC7FH8O3
Molecular Weight
169.950000
Exact Mass
170.055052
InChI
InChI=1S/C7H8BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2
InChIKey
PWMOQHMTXJYUGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.15
TPSA
60.69
LogP / Solubility
WLOGP
-1
MLOGP
-0.89
XLogP3
-1
Consensus LogP
-0.96
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
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)
-4.47
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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![CAS 932378-94-4 [3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6032-jpgcontextbwfzdgvyfhjvb3r8mjg3ntl8aw1hz2uvanblz3xoyjavagi3lzg5mjkymjc4otg5mtavqjywmziuanbnfdnknwflmzi1owyxymq5yjflzwe3ytllnzhlnji5n2iwywzjntuwzwizzdczode1nwe4ntbiyzzizdewnze3ndm.jpeg)
