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, 10g
- 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% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
1256820-16-2 / 6-chloro-4-fluoropyridine-3-carbonitrile
Basic Information
CAS
1256820-16-2
Multi CAS
No
Molecular Formula
C6H2ClFN2
Molecular Weight
156.540000
Exact Mass
155.989054
SMILES
C1=C(C(=CN=C1Cl)C#N)F
InChI
InChI=1S/C6H2ClFN2/c7-6-1-5(8)4(2-9)3-10-6/h1,3H
InChIKey
DNCDQUHVKYJFOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
33.92
TPSA
36.68
LogP / Solubility
WLOGP
1.75
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1-[6-(difluoromethyl)pyridin-3-yl]ethan-1-one
- CAS RN: 1256821-01-8
- Product Code: SSC-030807
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![CAS 1256821-01-8 1-[6-(difluoromethyl)pyridin-3-yl]ethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256821-01-8.gif)
