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, 10g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
1620-78-6 / 3-methyl-2-(trifluoromethyl)pyridine
Basic Information
CAS
1620-78-6
Multi CAS
No
Molecular Formula
C7H6F3N
Molecular Weight
161.120000
Exact Mass
161.045234
SMILES
CC1=C(N=CC=C1)C(F)(F)F
InChI
InChI=1S/C7H6F3N/c1-5-3-2-4-11-6(5)7(8,9)10/h2-4H,1H3
InChIKey
AOYVIESJJAWOAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
33.98
TPSA
12.89
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-1.99
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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