CAS RN: 1222008-13-0
B,B’-2,8-Dibenzofurandiylbisboronic 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.20251006 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1222008-13-0
- Purity/Analytical Methods: >99.0%
1222008-13-0 / (8-boronodibenzofuran-2-yl)boronic acid
Basic Information
CAS
1222008-13-0
Multi CAS
No
Molecular Formula
C12H10B2O5
Molecular Weight
255.800000
Exact Mass
256.071434
SMILES
B(C1=CC2=C(C=C1)OC3=C2C=C(C=C3)B(O)O)(O)O
InChI
InChI=1S/C12H10B2O5/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6,15-18H
InChIKey
VKVRMVMMRAFRMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
73.37
TPSA
94.06
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.92
XLogP3
-1.05
Consensus LogP
-1.01
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03
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
1.5
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