![CAS 1227401-70-8 4,4′-([2,2′-Bipyridine]-4,4′-diyl)bis(N,N-diphenylaniline) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227401-70-8.gif)
CAS RN: 1227401-70-8
4,4′-([2,2′-Bipyridine]-4,4′-diyl)bis(N,N-diphenylaniline)
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.20260404 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227401-70-8
- Purity/Analytical Methods: >99.0%
1227401-70-8 / N,N-diphenyl-4-[2-[4-[4-(N-phenylanilino)phenyl]-2-pyridinyl]-4-pyridinyl]aniline
Basic Information
CAS
1227401-70-8
Multi CAS
No
Molecular Formula
C46H34N4
Molecular Weight
642.800000
Exact Mass
642.278347
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=NC=C4)C5=NC=CC(=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C46H34N4/c1-5-13-39(14-6-1)49(40-15-7-2-8-16-40)43-25-21-35(22-26-43)37-29-31-47-45(33-37)46-34-38(30-32-48-46)36-23-27-44(28-24-36)50(41-17-9-3-10-18-41)42-19-11-4-12-20-42/h1-34H
InChIKey
MSRQVLUYENLZQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
48
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
207.71
TPSA
32.26
LogP / Solubility
WLOGP
12.42
MLOGP
10.98
XLogP3
11.2
Consensus LogP
11.53
Log S (ESOL)
-11.76
Class (ESOL)
Insoluble
Log S (Ali)
-13.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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