CAS RN: 694499-26-8
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 100g | In stock | Shenzhen | Inquiry |
| Batchno.20251009 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260219 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250313 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251108 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-179145
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, 10g, 5g, 25g, 100g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 2 In Stock | Beijing | Inquiry |
694499-26-8 / 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
Basic Information
CAS
694499-26-8
Multi CAS
Yes
Molecular Formula
C13F3H18N3
Molecular Weight
273.300000
Exact Mass
273.145282
InChI
InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.63
TPSA
32.5
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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