CAS RN: 590371-58-7
3-Bromo-2-trifluoromethylpyridine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-167407
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: 0.25g, 1g, 5g, 10g, 25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
590371-58-7 / 3-bromo-2-(trifluoromethyl)pyridine
Basic Information
CAS
590371-58-7
Multi CAS
No
Molecular Formula
BC6H3NRf3
Molecular Weight
225.990000
Exact Mass
224.940100
InChI
InChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKey
SMZAZDGFGOHROS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.94
TPSA
12.89
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
