![CAS 1073339-10-2 2-(Benzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073339-10-2.gif)
CAS RN: 1073339-10-2
2-(Benzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg / 250mg / 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1073339-10-2
- Purity/Analytical Methods: >99.0%
1073339-10-2 / 2-(1,3-benzodioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2,3-methylenedioxyphenylboronic acid pinacol ester | 2-(BENZO[D][1,3]DIOXOL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | MFCD12405524
Basic Information
CAS
1073339-10-2
Multi CAS
Yes
Molecular Formula
C13H17BO4
Molecular Weight
248.080000
Exact Mass
248.121989
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)OCO3
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)9-6-5-7-10-11(9)16-8-15-10/h5-7H,8H2,1-4H3
InChIKey
GVVNJCCBLOXETG-UHFFFAOYSA-N
Synonyms
2,3-methylenedioxyphenylboronic acid pinacol ester
2-(BENZO[D][1,3]DIOXOL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
MFCD12405524
2-(1,3-benzodioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SCHEMBL16042831
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
68.28
TPSA
36.92
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
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
1.5
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