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CAS 71866-86-9 1,3,5-Tris(4-ethynylphenyl)benzene molecular structure lightbox
CAS RN: 71866-86-9

1,3,5-Tris(4-ethynylphenyl)benzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250531 200mg In stock Shanghai Inquiry
Batchno.20250803 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-181411
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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: 5g
  • 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 71866-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

71866-86-9 / 1,3,5-tris(4-ethynylphenyl)benzene

Standard CAS: 71866-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71866-86-9
Multi CAS
No
Molecular Formula
C30H18
Molecular Weight
378.500000
Exact Mass
378.140851
InChI
InChI=1S/C30H18/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h1-3,7-21H
InChIKey
XJIJQOFZIULKCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
126.56
TPSA
0.0000

LogP / Solubility

WLOGP
6.63
MLOGP
5.86
XLogP3
7.5
Consensus LogP
6.66
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32

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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