CAS RN: 25449-96-1
2-Methyl-5-(trifluoromethyl)aniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250422 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-121398
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: 25g, 5g, 10g, 1g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
25449-96-1 / 2-methyl-5-(trifluoromethyl)aniline
Basic Information
CAS
25449-96-1
Multi CAS
No
Molecular Formula
C8H8F3N
Molecular Weight
175.150000
Exact Mass
175.060884
SMILES
CC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H8F3N/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,12H2,1H3
InChIKey
BCLCKENDTZITFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.59
TPSA
26.02
LogP / Solubility
WLOGP
2.6
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-1.95
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
