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, 0.1g, 1g, 10g, 5g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1379324-48-7 / 2-(5-bromo-2-fluorophenyl)-1H-imidazole
Basic Information
CAS
1379324-48-7
Multi CAS
No
Molecular Formula
C9H6BrFN2
Molecular Weight
241.060000
Exact Mass
239.969840
SMILES
C1=CC(=C(C=C1Br)C2=NC=CN2)F
InChI
InChI=1S/C9H6BrFN2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-5H,(H,12,13)
InChIKey
LGBUPCKKHLJVFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.68
TPSA
28.68
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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