![CAS 854952-60-6 Boronic acid,B-[3-(9-phenyl-9H-carbazole-3-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/854952-60-6.gif)
CAS RN: 854952-60-6
Boronic acid,B-[3-(9-phenyl-9H-carbazole-3-yl)phenyl]-
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.20250715 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS854952-60-6
- Purity/Analytical Methods: >99.0%
854952-60-6 / [3-(9-phenylcarbazol-3-yl)phenyl]boronic acid
Basic Information
CAS
854952-60-6
Multi CAS
No
Molecular Formula
BC24H18NO2
Molecular Weight
363.200000
Exact Mass
363.143059
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20/h1-16,27-28H
InChIKey
WPWPOMNBTQPHDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.04
TPSA
45.39
LogP / Solubility
WLOGP
4.13
MLOGP
3.65
XLogP3
4.13
Consensus LogP
3.97
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble
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)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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