CAS RN: 402-13-1
2-Amino-4-(trifluoromethyl)benzoic Acid
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250720 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251003 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260509 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260429 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250825 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250309 | 5g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-148252
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
402-13-1 / 2-amino-4-(trifluoromethyl)benzoic acid
Basic Information
CAS
402-13-1
Multi CAS
Yes
Molecular Formula
C8F3H6NO2
Molecular Weight
205.130000
Exact Mass
205.035063
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
InChIKey
NQTLZJODEOHALT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.82
TPSA
63.32
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
2.3
Consensus LogP
2.01
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
