CAS RN: 79544-29-9
2-Fluoro-6-iodobenzonitrile
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 100g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251228 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250101 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250726 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251023 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250113 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-188684
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, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
79544-29-9 / 2-fluoro-6-iodobenzonitrile
Basic Information
CAS
79544-29-9
Multi CAS
Yes
Molecular Formula
C7FH3In
Molecular Weight
247.010000
Exact Mass
246.929420
InChI
InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
FAACTMVXBNSPJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
43.83
TPSA
23.79
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.59
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
