CAS RN: 1346809-50-4
2-(Dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260303 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250213 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250202 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1346809-50-4
- Purity/Analytical Methods: >99.0%
1346809-50-4 / 2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
Basic Information
CAS
1346809-50-4
Multi CAS
No
Molecular Formula
C14H20BN3O2
Molecular Weight
273.140000
Exact Mass
273.164857
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N(C)C)C#N
InChI
InChI=1S/C14H20BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-10(8-16)12(17-9-11)18(5)6/h7,9H,1-6H3
InChIKey
TUTJYIDVNQKJPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
79
TPSA
58.38
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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