![CAS 1214723-26-8 3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214723-26-8.gif)
CAS RN: 1214723-26-8
3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic 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.20260218 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214723-26-8
- Purity/Analytical Methods: >99.0%
1214723-26-8 / [3-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
Basic Information
CAS
1214723-26-8
Multi CAS
No
Molecular Formula
C19H15BN2O2
Molecular Weight
314.100000
Exact Mass
314.122658
SMILES
B(C1=CC(=CC=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4)(O)O
InChI
InChI=1S/C19H15BN2O2/c23-20(24)15-8-6-7-14(13-15)19-21-17-11-4-5-12-18(17)22(19)16-9-2-1-3-10-16/h1-13,23-24H
InChIKey
YALVJUMJQAACQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.33
TPSA
58.28
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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