CAS RN: 211449-19-3
4-(Trifluoromethyl)quinolin-2-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.20250401 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS211449-19-3
- Purity/Analytical Methods: >99.0%
211449-19-3 / 4-(trifluoromethyl)quinolin-2-amine
Basic Information
CAS
211449-19-3
Multi CAS
No
Molecular Formula
C10H7F3N2
Molecular Weight
212.170000
Exact Mass
212.056133
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15)
InChIKey
UNRQZWDGGRFKTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.16
TPSA
38.91
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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