![CAS 886364-82-5 (1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHYL)AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-82-5.gif)
CAS RN: 886364-82-5
(1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHYL)AMINE
- Product code: SSC-199834
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
886364-82-5 / 1-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
Basic Information
CAS
886364-82-5
Multi CAS
No
Molecular Formula
C8F3H9N2
Molecular Weight
190.170000
Exact Mass
190.071783
InChI
InChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3
InChIKey
HBSGXPCKIDZNIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.84
TPSA
38.91
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
1
Consensus LogP
1.66
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
