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CAS 608129-43-7 tetrakis[4-(4′-cyanophenyl)phenyl]ethene molecular structure lightbox
CAS RN: 608129-43-7

tetrakis[4-(4′-cyanophenyl)phenyl]ethene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS608129-43-7
  • Purity/Analytical Methods: >99.0%
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608129-43-7 / 4-[4-[1,2,2-tris[4-(4-cyanophenyl)phenyl]ethenyl]phenyl]benzonitrile

Standard CAS: 608129-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
608129-43-7
Multi CAS
No
Molecular Formula
C54H32N4
Molecular Weight
736.900000
Exact Mass
736.262697
InChI
InChI=1S/C54H32N4/c55-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-56)4-12-42)54(51-29-21-47(22-30-51)43-13-5-39(35-57)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-58)8-16-44/h1-32H
InChIKey
SEHKOMFGOOBKEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
48
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
231.39
TPSA
95.16

LogP / Solubility

WLOGP
12.85
MLOGP
11.37
XLogP3
13.3
Consensus LogP
12.51
Log S (ESOL)
-12.59
Class (ESOL)
Insoluble
Log S (Ali)
-14.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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