![CAS 2246878-23-7 2-((1,4-dioxaspiro[4.5]decan-8-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246878-23-7.gif)
CAS RN: 2246878-23-7
2-((1,4-dioxaspiro[4.5]decan-8-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2246878-23-7
- Purity/Analytical Methods: >99.0%
2246878-23-7 / 2-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2246878-23-7
Multi CAS
No
Molecular Formula
C15H25BO4
Molecular Weight
280.170000
Exact Mass
280.184589
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCC3(CC2)OCCO3
InChI
InChI=1S/C15H25BO4/c1-13(2)14(3,4)20-16(19-13)11-12-5-7-15(8-6-12)17-9-10-18-15/h11H,5-10H2,1-4H3
InChIKey
GJUIDVZBUOJXEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
77.27
TPSA
36.92
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.86
Consensus LogP
2.75
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-2.4
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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![CAS 2246880-79-3 4-[2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246880-79-3.gif)
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