CAS RN: 387827-64-7
2-(2,4-Difluorophenyl)-5-(trifluoromethyl)pyridine
- Product code: SSC-146394
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 1 In Stock | Hong Kong | Inquiry |
387827-64-7 / 2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine
Basic Information
CAS
387827-64-7
Multi CAS
No
Molecular Formula
C12F5H6N
Molecular Weight
259.170000
Exact Mass
259.042040
InChI
InChI=1S/C12H6F5N/c13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17/h1-6H
InChIKey
FMKQPMDFNYNYAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.59
TPSA
12.89
LogP / Solubility
WLOGP
4.05
MLOGP
3.57
XLogP3
3.6
Consensus LogP
3.74
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1450841-27-6 2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4228-jpgcontextbwfzdgvyfhjvb3r8mzkwmdr8aw1hz2uvanblz3xondevagyzlzg5mjkwndaynjkzndivqjqymjguanbnfdayzdrhnzc3ntfjmtu1mti3mwe3ndixnze5ngvlzda2ntc2nmrlzjqyzwu1zjvhnwqzoguzzgm3otllowq4zmu.jpeg)
![CAS 1223020-29-8 2,6-Bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3934-jpgcontextbwfzdgvyfhjvb3r8nde1mjh8aw1hz2uvanblz3xoodevaddklzg5mjg5oti1ntkxmzqvqjm5mzquanbnfgyxyznknju3yjhhowuxyjhhyzmwm2uxnja2zmfjndy1ytjimwu3ntkznmqwmjiwmmyynzi3mjgzn2q0njfkmte.jpeg)