![CAS 587834-96-6 N-([1,1′-biphenyl]-4-yl)-[1,1′:3′,1”-terphenyl]-5′-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/587834-96-6.gif)
CAS RN: 587834-96-6
N-([1,1′-biphenyl]-4-yl)-[1,1′:3′,1”-terphenyl]-5′-amine
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.20250523 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS587834-96-6
- Purity/Analytical Methods: >99.0%
587834-96-6 / 3,5-diphenyl-N-(4-phenylphenyl)aniline
Basic Information
CAS
587834-96-6
Multi CAS
No
Molecular Formula
C30H23N
Molecular Weight
397.500000
Exact Mass
397.183050
InChI
InChI=1S/C30H23N/c1-4-10-23(11-5-1)26-16-18-29(19-17-26)31-30-21-27(24-12-6-2-7-13-24)20-28(22-30)25-14-8-3-9-15-25/h1-22,31H
InChIKey
KMZYGUOYACANFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
132.47
TPSA
12.03
LogP / Solubility
WLOGP
8.43
MLOGP
7.44
XLogP3
8.3
Consensus LogP
8.06
Log S (ESOL)
-8
Class (ESOL)
Insoluble
Log S (Ali)
-8.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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