CAS RN: 85070-67-3
2-Fluoro-4-methylbenzonitrile
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: SSC-193098
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, 10g, 1g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | >97% | 0 Out of Stock | Shanghai | Inquiry |
85070-67-3 / 2-fluoro-4-methylbenzonitrile
Basic Information
CAS
85070-67-3
Multi CAS
Yes
Molecular Formula
C8FH6N
Molecular Weight
135.140000
Exact Mass
135.048427
InChI
InChI=1S/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChIKey
WCGNLBCJPBKXCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
35.85
TPSA
23.79
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
