![CAS 1213191-77-5 (1S)-1-[5-(TRIFLUOROMETHYL)(2-PYRIDYL)]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213191-77-5.gif)
CAS RN: 1213191-77-5
(1S)-1-[5-(TRIFLUOROMETHYL)(2-PYRIDYL)]ETHYLAMINE
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.20251204 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-023273
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1213191-77-5 / (1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine | 1-[5-(trifluoromethyl)pyridin-2-yl]ethanamine | 1-[5-(trifluoromethyl)-2-pyridyl]ethanamine
Basic Information
CAS
1213191-77-5
Multi CAS
Yes
Molecular Formula
C8H9F3N2
Molecular Weight
190.170000
Exact Mass
190.071783
SMILES
C[C@@H](C1=NC=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c1-5(12)7-3-2-6(4-13-7)8(9,10)11/h2-5H,12H2,1H3/t5-/m0/s1
InChIKey
BOHFCACEJMSLFB-YFKPBYRVSA-N
Synonyms
1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine
1-[5-(trifluoromethyl)pyridin-2-yl]ethanamine
1-[5-(trifluoromethyl)-2-pyridyl]ethanamine
1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ETHAN-1-AMINE
1-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ETHAN-1-AMINE
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
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