![CAS 942070-54-4 t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942070-54-4.gif)
CAS RN: 942070-54-4
t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95%
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.20250619 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942070-54-4
- Purity/Analytical Methods: >99.0%
942070-54-4 / tert-butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Basic Information
CAS
942070-54-4
Multi CAS
Yes
Molecular Formula
B2C24H36N2O6
Molecular Weight
470.200000
Exact Mass
470.275947
InChI
InChI=1S/C24H36B2N2O6/c1-20(2,3)30-19(29)28-14-17(26-33-23(8,9)24(10,11)34-26)16-12-15(13-27-18(16)28)25-31-21(4,5)22(6,7)32-25/h12-14H,1-11H3
InChIKey
FPUMXGFVYQHELH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
8
Molar refractivity
132.8
TPSA
81.04
LogP / Solubility
WLOGP
3.42
MLOGP
3.04
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16
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
3
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