CAS RN: 868662-36-6
2-(Trifluoromethyl)pyridine-5-boronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-196174
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, 10g, 25g, 5g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
868662-36-6 / [6-(trifluoromethyl)-3-pyridinyl]boronic acid
Basic Information
CAS
868662-36-6
Multi CAS
Yes
Molecular Formula
BC6F3H5NO2
Molecular Weight
190.920000
Exact Mass
191.036543
InChI
InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChIKey
BNTIPMNMTIAWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.06
TPSA
53.35
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.19
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
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)
-4.04
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 1628817-49-1 9-Phenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2772-jpgcontextbwfzdgvyfhjvb3r8mjq3mzh8aw1hz2uvanblz3xondcvagjjlzkxnzu1mtm2nje0nzavudi3nziuanbnfdk2mwu2zjyyzwnmmzbiywm1zdg3mmi2ytg1mmjhodawywuxm2mzztg5odazzgjhnzm2mgeyodc5n2i1oteyyjk.jpeg)
