![CAS 2229864-76-8 (3-(dibenzo[b,d]furan-1-yl)phenyl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2229864-76-8.gif)
CAS RN: 2229864-76-8
(3-(dibenzo[b,d]furan-1-yl)phenyl)boronic acid
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.20250410 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2229864-76-8
- Purity/Analytical Methods: >99.0%
2229864-76-8 / (3-dibenzofuran-1-ylphenyl)boronic acid
Basic Information
CAS
2229864-76-8
Multi CAS
No
Molecular Formula
C18H13BO3
Molecular Weight
288.100000
Exact Mass
288.095774
SMILES
B(C1=CC(=CC=C1)C2=C3C4=CC=CC=C4OC3=CC=C2)(O)O
InChI
InChI=1S/C18H13BO3/c20-19(21)13-6-3-5-12(11-13)14-8-4-10-17-18(14)15-7-1-2-9-16(15)22-17/h1-11,20-21H
InChIKey
KSGKFOWCAULVDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.98
TPSA
53.6
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
3
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![CAS 2229976-16-1 Acetic acid, 2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2229976-16-1.gif)
