CAS RN: 330796-48-0
4-(4-METHYL-PIPERAZIN-1-YL)-3-TRIFLUOROMETHYL-PHENYLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-138946
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- 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.
330796-48-0 / 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
Basic Information
CAS
330796-48-0
Multi CAS
No
Molecular Formula
C12F3H16N3
Molecular Weight
259.270000
Exact Mass
259.129632
InChI
InChI=1S/C12H16F3N3/c1-17-4-6-18(7-5-17)11-3-2-9(16)8-10(11)12(13,14)15/h2-3,8H,4-7,16H2,1H3
InChIKey
PRIMSUJUKMYIQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.57
TPSA
32.5
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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