CAS RN: 218301-22-5
2-Fluoro-5-formylbenzonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250626 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-105247
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, 100g, 10g, 25g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 5
- 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% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
218301-22-5 / 2-fluoro-5-formylbenzonitrile
Basic Information
CAS
218301-22-5
Multi CAS
No
Molecular Formula
C8H4FNO
Molecular Weight
149.120000
Exact Mass
149.027692
SMILES
C1=CC(=C(C=C1C=O)C#N)F
InChI
InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChIKey
MOFRJTLODZILCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.5
TPSA
40.86
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.56
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
