CAS RN: 497147-93-0
5-CYANO-3-PYRIDINYL BORONIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-155998
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, 100g
- Available purity: >95%
- Inventory rows with stock: 3
- 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% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
497147-93-0 / (5-cyano-3-pyridinyl)boronic acid
Basic Information
CAS
497147-93-0
Multi CAS
No
Molecular Formula
BC6H5N2O2
Molecular Weight
147.930000
Exact Mass
148.044408
InChI
InChI=1S/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H
InChIKey
CYEXXDYQJPRMIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.78
TPSA
77.14
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.37
Consensus LogP
-1.32
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.59
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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