CAS RN: 40716-16-3
4-Methyl-6-Trifluoromethyl-Quinoline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS40716-16-3
- Purity/Analytical Methods: >99.0%
40716-16-3 / 4-methyl-6-(trifluoromethyl)quinoline
Basic Information
CAS
40716-16-3
Multi CAS
No
Molecular Formula
C11F3H8N
Molecular Weight
211.180000
Exact Mass
211.060884
InChI
InChI=1S/C11H8F3N/c1-7-4-5-15-10-3-2-8(6-9(7)10)11(12,13)14/h2-6H,1H3
InChIKey
TZZYMAHXPPUHML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
51.48
TPSA
12.89
LogP / Solubility
WLOGP
3.56
MLOGP
3.14
XLogP3
3.5
Consensus LogP
3.4
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.48
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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