CAS RN: 394-35-4
Methyl 2-Fluorobenzoate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-147060
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, 25g, 100g, 500g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | ≥97% | 2 In Stock | Shanghai | Inquiry |
394-35-4 / methyl 2-fluorobenzoate
Basic Information
CAS
394-35-4
Multi CAS
Yes
Molecular Formula
C8FH7O2
Molecular Weight
154.140000
Exact Mass
154.043008
InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey
QAFJIJWLEBLXHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.74
TPSA
26.3
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
