CAS RN: 741709-66-0
DIMETHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-2,6-DICARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS741709-66-0
- Purity/Analytical Methods: >99.0%
741709-66-0 / dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,6-dicarboxylate
Basic Information
CAS
741709-66-0
Multi CAS
Yes
Molecular Formula
BC15H20NO6
Molecular Weight
321.140000
Exact Mass
321.138368
InChI
InChI=1S/C15H20BNO6/c1-14(2)15(3,4)23-16(22-14)9-7-10(12(18)20-5)17-11(8-9)13(19)21-6/h7-8H,1-6H3
InChIKey
BQULHACFOJDBBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
82.63
TPSA
83.95
LogP / Solubility
WLOGP
0.95
MLOGP
0.85
XLogP3
0.95
Consensus LogP
0.92
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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
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
2.5
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