CAS RN: 59016-56-7
1-Cyano-4-(dimethylamino)pyridinium Tetrafluoroborate
- Product code: SSC-167384
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, 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 4 In Stock | Shanghai | Inquiry |
59016-56-7 / 4-(dimethylamino)pyridin-1-ium-1-carbonitrile tetrafluoroborate
Basic Information
CAS
59016-56-7
Multi CAS
Yes
Molecular Formula
BC8F4H10N3
Molecular Weight
234.990000
Exact Mass
235.090390
InChI
InChI=1S/C8H10N3.BF4/c1-10(2)8-3-5-11(7-9)6-4-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1
InChIKey
MBLVMDCQDCVKNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.16
TPSA
30.91
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.97
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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