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CAS 13001-40-6 1,4-Bis(4-cyanostyryl)benzene molecular structure lightbox
CAS RN: 13001-40-6

1,4-Bis(4-cyanostyryl)benzene

Product Availability

Choose a grade to view its available package options.

7 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 100g In stock Tianjin, Wuhan Inquiry
Batchno.20250330 10g In stock Shenzhen Inquiry
Batchno.20260501 1g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing 5-7 business days Inquiry
Batchno.20251029 1kg Out of stock Inquiry
Batchno.20250505 25g Out of stock Inquiry
Batchno.20250209 500g Out of stock Inquiry
Batchno.20260305 5g Out of stock Inquiry
  • Product code: SSC-036756
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13001-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

13001-40-6 / 4-[2-[4-[2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

Standard CAS: 13001-40-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13001-40-6
Multi CAS
No
Molecular Formula
C24H16N2
Molecular Weight
332.400000
Exact Mass
332.131349
SMILES
C1=CC(=CC=C1C=CC2=CC=C(C=C2)C#N)C=CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H16N2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-16H
InChIKey
KIAAMJMIIHTGBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
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
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 59 of 59 companies. For more detailed information, please visit ECHA C&L website.

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