CAS RN: 19014-29-0
4,4′-Oxybis(1,4-phenylene)diboronic 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.20250323 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINO929290
19014-29-0 / [4-(4-boronophenoxy)phenyl]boronic acid
Basic Information
CAS
19014-29-0
Multi CAS
No
Molecular Formula
C12H12B2O5
Molecular Weight
257.800000
Exact Mass
258.087084
SMILES
B(C1=CC=C(C=C1)OC2=CC=C(C=C2)B(O)O)(O)O
InChI
InChI=1S/C12H12B2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8,15-18H
InChIKey
DFPCWEXYGPRULG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
72.61
TPSA
90.15
LogP / Solubility
WLOGP
-1.16
MLOGP
-1.02
XLogP3
-1.16
Consensus LogP
-1.11
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-5.12
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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