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: 25g, 0.25g, 5g, 10g, 1g, 100g, 1000g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 25g | -- | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
451459-17-9 / 2-bromo-6-methyl-4-(trifluoromethyl)pyridine
Basic Information
CAS
451459-17-9
Multi CAS
No
Molecular Formula
BC7H5NRf3
Molecular Weight
240.020000
Exact Mass
238.955750
InChI
InChI=1S/C7H5BrF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2-3H,1H3
InChIKey
OMOUYBVNDMGYGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
41.68
TPSA
12.89
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.2
Consensus LogP
3.06
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.93
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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