CAS RN: 169224-65-1
Bis(3-biphenylyl)amine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-073847
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
169224-65-1 / 3-phenyl-N-(3-phenylphenyl)aniline
Basic Information
CAS
169224-65-1
Multi CAS
No
Molecular Formula
C24H19N
Molecular Weight
321.400000
Exact Mass
321.151750
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19N/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18,25H
InChIKey
LXOCTSJQHHCASE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.04
TPSA
12.03
LogP / Solubility
WLOGP
6.76
MLOGP
5.97
XLogP3
6.7
Consensus LogP
6.48
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
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
No
Log Kp (skin permeation)
0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
