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: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 5 In Stock | Shanghai | Inquiry |
39890-98-7 / 2,6-dichloro-4-(trifluoromethyl)pyridine
Basic Information
CAS
39890-98-7
Multi CAS
Yes
Molecular Formula
C6H2CL2F3N
Molecular Weight
215.980000
Exact Mass
214.951639
InChI
InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
InChIKey
KVNQWVYYVLCZKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
39.26
TPSA
12.89
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.7
Consensus LogP
3.37
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 2456414-49-4 1-Benzyl-3-[2-(trifluoromethyl)phenyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2875-jpgcontextbwfzdgvyfhjvb3r8mjaxmzf8aw1hz2uvanblz3xoowyvadnilzkyndk5otyxndq2nzavudi4nzuuanbnfdkxmjkynmvmndm2ywi3odrknjjinwq4mwnlzju3zge0nzewzmvhmzrkymfjzgi0mmi1owewmdrjndbhzjzjztq.jpeg)
