CAS RN: 1028648-22-7
“9-(biphenyl-4-yl)-3-boricacid-9H-carbazole”
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-004207
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1028648-22-7 / [9-(4-phenylphenyl)carbazol-3-yl]boronic acid
(9-([1,1'-Biphenyl]-4-yl)-9H-carbazol-3-yl)boronic acid | 9-(biphenyl-4-yl)-3-boric acid-9H-carbazole | 9-(4-Phenylphenyl)carbazole-3-boronic acid
Basic Information
CAS
1028648-22-7
Multi CAS
Yes
Molecular Formula
C24H18BNO2
Molecular Weight
363.200000
Exact Mass
363.143059
SMILES
B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16,27-28H
InChIKey
HUSSQXMWKXPRRF-UHFFFAOYSA-N
Synonyms
(9-([1,1'-Biphenyl]-4-yl)-9H-carbazol-3-yl)boronic acid
9-(biphenyl-4-yl)-3-boric acid-9H-carbazole
9-(4-Phenylphenyl)carbazole-3-boronic acid
MFCD22581304
9-(Biphenyl-4-yl)-9H-carbazol-3-yl)-boronic acid
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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