![CAS 1839090-56-0 1,1-diphenyl-2,2-di[4-(4-phenylphenyl)pyridine]ethylene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1839090-56-0gaide.png)
CAS RN: 1839090-56-0
1,1-diphenyl-2,2-di[4-(4-phenylphenyl)pyridine]ethylene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1839090-56-0
- Purity/Analytical Methods: >99.0%
1839090-56-0 / 4-[4-[2,2-diphenyl-1-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
Basic Information
CAS
1839090-56-0
Multi CAS
No
Molecular Formula
C36H26N2
Molecular Weight
486.600000
Exact Mass
486.209599
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)C3=CC=NC=C3)C4=CC=C(C=C4)C5=CC=NC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H26N2/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)36(33-15-11-27(12-16-33)29-19-23-37-24-20-29)34-17-13-28(14-18-34)30-21-25-38-26-22-30/h1-26H
InChIKey
AKRKOCMCGQTQML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
157.25
TPSA
25.78
LogP / Solubility
WLOGP
8.82
MLOGP
7.79
XLogP3
9.1
Consensus LogP
8.57
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.86
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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