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CAS 477587-89-6 1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI) molecular structure lightbox
CAS RN: 477587-89-6

1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI)

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100g In stock Inquiry
Batchno.20250127 1g In stock Inquiry
Batchno.20260127 25g In stock Inquiry
Batchno.20250127 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 1g In stock Shanghai Inquiry
Batchno.20250402 25g In stock Tianjin, Wuhan Inquiry
Batchno.20250527 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-154696
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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: 25g
  • 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 477587-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

477587-89-6 / 1-ethyl-4-(4-ethynylphenyl)benzene

Standard CAS: 477587-89-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
477587-89-6
Multi CAS
Yes
Molecular Formula
C16H14
Molecular Weight
206.280000
Exact Mass
206.109550
InChI
InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
InChIKey
LMCBMOAZJXJAIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
Molar refractivity
69.19
TPSA
0.0000

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
4.6
Consensus LogP
3.98
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

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
1.5

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