![CAS 858131-73-4 [4′-(Carbazol-9-yl)-4-biphenylyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3353-jpgcontextbwfzdgvyfhjvb3r8mza2odz8aw1hz2uvanblz3xonjgvade2lzg5mjk2nzqynjq2mdyvqzmzntmuanbnfgm5mdq2odkyyzg0mjuxzmi1mme0ndjlnzfhzdrkzjdlodmxnjrknmrmn2vlngyzmdu3n2qxntnkzmrkndczmdq.jpeg)
CAS RN: 858131-73-4
[4′-(Carbazol-9-yl)-4-biphenylyl]boronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: SSC-194446
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
858131-73-4 / [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid
Basic Information
CAS
858131-73-4
Multi CAS
Yes
Molecular Formula
BC24H18NO2
Molecular Weight
363.200000
Exact Mass
363.143059
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,27-28H
InChIKey
YVBMFCFOASRILM-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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