![CAS 1247176-52-8 [1,1’4′,1”-Terphenyl]-4-amine, N-[4-(1-naphthalenyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1247176-52-8.gif)
CAS RN: 1247176-52-8
[1,1’4′,1”-Terphenyl]-4-amine, N-[4-(1-naphthalenyl)phenyl]-
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.20250421 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1247176-52-8
- Purity/Analytical Methods: >99.0%
1247176-52-8 / N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
Basic Information
CAS
1247176-52-8
Multi CAS
No
Molecular Formula
C34H25N
Molecular Weight
447.600000
Exact Mass
447.198700
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C34H25N/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)28-17-21-31(22-18-28)35-32-23-19-30(20-24-32)34-12-6-10-29-9-4-5-11-33(29)34/h1-24,35H
InChIKey
VENHZMWDHKKBRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
34
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
149.98
TPSA
12.03
LogP / Solubility
WLOGP
9.58
MLOGP
8.46
XLogP3
9.6
Consensus LogP
9.21
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
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)
1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
