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: 5g, 0.25g, 1g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
884494-37-5 / 2-bromo-3-fluoro-4-methylpyridine
Basic Information
CAS
884494-37-5
Multi CAS
No
Molecular Formula
BC6H5NRf
Molecular Weight
190.010000
Exact Mass
188.958940
InChI
InChI=1S/C6H5BrFN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
InChIKey
XEYHVDSBHMACII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.63
TPSA
12.89
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.25
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
