CAS RN: 2135870-71-0
Tetrakis(4-pyridylvinylphenyl)ethylene
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.20250629 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2135870-71-0
- Purity/Analytical Methods: >99.0%
2135870-71-0 / 4-[(E)-2-[4-[1,2,2-tris[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]ethenyl]pyridine
Basic Information
CAS
2135870-71-0
Multi CAS
No
Molecular Formula
C54H40N4
Molecular Weight
744.900000
Exact Mass
744.325297
SMILES
C1=CC(=CC=C1/C=C/C2=CC=NC=C2)C(=C(C3=CC=C(C=C3)/C=C/C4=CC=NC=C4)C5=CC=C(C=C5)/C=C/C6=CC=NC=C6)C7=CC=C(C=C7)/C=C/C8=CC=NC=C8
InChI
InChI=1S/C54H40N4/c1(5-45-25-33-55-34-26-45)41-9-17-49(18-10-41)53(50-19-11-42(12-20-50)2-6-46-27-35-56-36-28-46)54(51-21-13-43(14-22-51)3-7-47-29-37-57-38-30-47)52-23-15-44(16-24-52)4-8-48-31-39-58-40-32-48/h1-40H/b5-1+,6-2+,7-3+,8-4+
InChIKey
WYNIUFKJYDMONC-VYUKIJHXSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
48
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
243.45
TPSA
51.56
LogP / Solubility
WLOGP
12.96
MLOGP
11.47
XLogP3
12.8
Consensus LogP
12.41
Log S (ESOL)
-12.44
Class (ESOL)
Insoluble
Log S (Ali)
-15.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.7
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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