CAS 13001-39-3 1,4-Bis(2-cyanostyryl)benzene molecular structure

lightbox

CAS RN: 13001-39-3

1,4-Bis(2-cyanostyryl)benzene

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260629	100g	Out of stock	Inquiry
Batchno.20250923	25g	Out of stock	Inquiry
Batchno.20260101	500g	Out of stock	Inquiry

Product code: starshine_CAS13001-39-3
Purity/Analytical Methods: >99.0%

GET A QUOTE

13001-39-3 / 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

Standard CAS: 13001-39-3 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

13001-39-3

Multi CAS

Molecular Formula

C24H16N2

Molecular Weight

332.400000

Exact Mass

332.131349

SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+

InChIKey

RBABXJPJIHMBBP-WXUKJITCSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

106.61

TPSA

47.58

LogP / Solubility

WLOGP

5.77

MLOGP

5.09

XLogP3

5.9

Consensus LogP

5.59

Log S (ESOL)

-5.78

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.45

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.09

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-0.65

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

GHS Hazard Statements

H413 (89.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] Not Classified Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.

Precautionary Statement Codes

P273, and P501