![CAS 1084334-86-0 B-[4-([1,1′-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1084334-86-0.gif)
CAS RN: 1084334-86-0
B-[4-([1,1′-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid
Product Availability
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5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250424 | 10g | Out of stock | Inquiry | ||
| Batchno.20250114 | 1g | Out of stock | Inquiry | ||
| Batchno.20250927 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20260221 | 25g | Out of stock | Inquiry | ||
| Batchno.20250317 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1084334-86-0
- Purity/Analytical Methods: >99.0%
1084334-86-0 / [4-(N-(4-phenylphenyl)anilino)phenyl]boronic acid
(4-([1,1'-Biphenyl]-4-yl(phenyl)amino)phenyl)boronic acid | B-[4-([1,1'-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid | MFCD28144504
Basic Information
CAS
1084334-86-0
Multi CAS
No
Molecular Formula
C24H20BNO2
Molecular Weight
365.200000
Exact Mass
365.158709
SMILES
B(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4)(O)O
InChI
InChI=1S/C24H20BNO2/c27-25(28)21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19/h1-18,27-28H
InChIKey
UUOYDHJVGOATFJ-UHFFFAOYSA-N
Synonyms
(4-([1,1'-Biphenyl]-4-yl(phenyl)amino)phenyl)boronic acid
B-[4-([1,1'-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid
MFCD28144504
[4-(N-(4-Phenylphenyl)anilino)phenyl]boronic acid
C24H20BNO2
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.39
TPSA
43.7
LogP / Solubility
WLOGP
4.5
MLOGP
3.98
XLogP3
4.5
Consensus LogP
4.33
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75
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
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