CAS RN: 165558-80-5
N-methyl-1-(2-(trifluoromethyl)pyridin-4-yl)methanamine
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.20251230 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS165558-80-5
- Purity/Analytical Methods: >99.0%
165558-80-5 / N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]methanamine
Basic Information
CAS
165558-80-5
Multi CAS
No
Molecular Formula
C8H9F3N2
Molecular Weight
190.170000
Exact Mass
190.071783
SMILES
CNCC1=CC(=NC=C1)C(F)(F)F
InChI
InChI=1S/C8H9F3N2/c1-12-5-6-2-3-13-7(4-6)8(9,10)11/h2-4,12H,5H2,1H3
InChIKey
MMRPRAIHDBXPHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42
TPSA
24.92
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.59
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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