CAS RN: 454-81-9
2-amino-alpha,alpha,alpha-trifluoro-p-creso
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.20260104 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-153142
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, 1g, 10g, 0.25g, 25g, 0.1g, 100g
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
454-81-9 / 2-amino-4-(trifluoromethyl)phenol
Basic Information
CAS
454-81-9
Multi CAS
Yes
Molecular Formula
C7F3H6NO
Molecular Weight
177.120000
Exact Mass
177.040148
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
InChIKey
BHTKIYIEMXRHGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.52
TPSA
46.25
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.39
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
