CAS RN: 820209-45-8
ETHYL-(4-TRIFLUOROMETHYL-PHENYL)-AMINE
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.20260329 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS820209-45-8
- Purity/Analytical Methods: >99.0%
820209-45-8 / N-ethyl-4-(trifluoromethyl)aniline
Basic Information
CAS
820209-45-8
Multi CAS
No
Molecular Formula
C9F3H10N
Molecular Weight
189.180000
Exact Mass
189.076534
InChI
InChI=1S/C9H10F3N/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKey
ZFVSSAGTWMDGJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.61
TPSA
12.03
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.65
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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