CAS RN: 473932-18-2
2-(piperidin-4-yl)-6-(trifluoromethyl)pyridine
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.20250608 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS473932-18-2
- Purity/Analytical Methods: >99.0%
473932-18-2 / 2-piperidin-4-yl-6-(trifluoromethyl)pyridine
Basic Information
CAS
473932-18-2
Multi CAS
No
Molecular Formula
C11F3H13N2
Molecular Weight
230.230000
Exact Mass
230.103083
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)10-3-1-2-9(16-10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2
InChIKey
SQQUUYMJUDXUGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.08
TPSA
24.92
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.3
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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