CAS RN: 928053-97-8
5-Fluoro-2-trifluoromethyl-phenylboronic acid
- Product code: SSC-206650
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
928053-97-8 / [5-fluoro-2-(trifluoromethyl)phenyl]boronic acid
Basic Information
CAS
928053-97-8
Multi CAS
Yes
Molecular Formula
BC7F4H5O2
Molecular Weight
207.920000
Exact Mass
208.031872
InChI
InChI=1S/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChIKey
LBDUHXAQWUKBEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.23
TPSA
40.46
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
0.52
Consensus LogP
0.5
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-3.62
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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