CAS RN: 402-52-8
4-(Trifluoromethyl)anisole
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
- Product code: SSC-148266
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: 10g, 25g, 100g, 1g, 5g, 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 |
|---|---|---|---|---|
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
402-52-8 / 1-methoxy-4-(trifluoromethyl)benzene
Basic Information
CAS
402-52-8
Multi CAS
No
Molecular Formula
C8F3H7O
Molecular Weight
176.140000
Exact Mass
176.044899
InChI
InChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKey
CFIPQRIPCRRISV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38
TPSA
9.23
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately 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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
