![CAS 1616120-14-9 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1616120-14-9.gif)
CAS RN: 1616120-14-9
1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1616120-14-9
- Purity/Analytical Methods: >99.0%
1616120-14-9 / 2-(3-dibenzofuran-1-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1616120-14-9
Multi CAS
No
Molecular Formula
C24H23BO3
Molecular Weight
370.200000
Exact Mass
370.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=C4C5=CC=CC=C5OC4=CC=C3
InChI
InChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)17-10-7-9-16(15-17)18-12-8-14-21-22(18)19-11-5-6-13-20(19)26-21/h5-15H,1-4H3
InChIKey
OTSLXOCVFAFXAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
114.87
TPSA
31.6
LogP / Solubility
WLOGP
5.55
MLOGP
4.91
XLogP3
5.55
Consensus LogP
5.34
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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