CAS RN: 327-74-2
4-Amino-3-(trifluoromethyl)benzonitrile
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.20260319 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-138343
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: 1g, 5g, 25g, 10g, 100g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
327-74-2 / 6-(trifluoromethyl)-1H-benzimidazole
Basic Information
CAS
327-74-2
Multi CAS
Yes
Molecular Formula
C8F3H5N2
Molecular Weight
186.130000
Exact Mass
186.040483
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)
InChIKey
HUCHIALSXSAECU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.1
TPSA
28.68
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.2
Consensus LogP
2.35
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >96.0%(GC)
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