![CAS 1049730-46-2 4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1049730-46-2.gif)
CAS RN: 1049730-46-2
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
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.20250525 | 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1049730-46-2
- Purity/Analytical Methods: >99.0%
1049730-46-2 / 2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane | MFCD11110349 | 2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1049730-46-2
Multi CAS
No
Molecular Formula
C14H23BO4
Molecular Weight
266.140000
Exact Mass
266.168939
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCC3(C2)OCCO3
InChI
InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-6-5-7-14(10-11)16-8-9-17-14/h6H,5,7-10H2,1-4H3
InChIKey
XSOMCRLPERTSIS-UHFFFAOYSA-N
Synonyms
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
MFCD11110349
2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro-[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
2-{1,4-dioxaspiro[4.5]dec-7-en-7-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
72.65
TPSA
36.92
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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