CAS RN: 329-17-9
N,N-Dimethyl-4-(trifluoromethyl)aniline
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.20260222 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: ICTD5607
- Purity/Analytical Methods: >98.0%(GC)(T)
329-17-9 / N,N-dimethyl-4-(trifluoromethyl)aniline
Basic Information
CAS
329-17-9
Multi CAS
No
Molecular Formula
C9F3H10N
Molecular Weight
189.180000
Exact Mass
189.076534
InChI
InChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKey
MLFFPCMQWLVVLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.77
TPSA
3.24
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
3.3
Consensus LogP
2.84
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
