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CAS 79802-71-4 4,4′,4”,4”’-(ethene-1,1,2,2-tetrayl)tetrabenzonitrile molecular structure lightbox
CAS RN: 79802-71-4

4,4′,4”,4”’-(ethene-1,1,2,2-tetrayl)tetrabenzonitrile

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 100mg Out of stock Inquiry
Batchno.20260423 1g In stock Inquiry
Batchno.20260403 250mg Out of stock Inquiry
Batchno.20250601 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-188874
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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: 1g
  • Available purity: ＞97%
  • 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 79802-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

79802-71-4 / 4-[1,2,2-tris(4-cyanophenyl)ethenyl]benzonitrile

Standard CAS: 79802-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79802-71-4
Multi CAS
No
Molecular Formula
C30H16N4
Molecular Weight
432.500000
Exact Mass
432.137497
InChI
InChI=1S/C30H16N4/c31-17-21-1-9-25(10-2-21)29(26-11-3-22(18-32)4-12-26)30(27-13-5-23(19-33)6-14-27)28-15-7-24(20-34)8-16-28/h1-16H
InChIKey
MKUUESUDECITIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
129.65
TPSA
95.16

LogP / Solubility

WLOGP
6.18
MLOGP
5.47
XLogP3
6.8
Consensus LogP
6.15
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.97

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
3

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