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CAS 52709-84-9 4-Cyano-4′-n-octylbiphenyl molecular structure lightbox
CAS RN: 52709-84-9

4-Cyano-4′-n-octylbiphenyl

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 1g In stock Inquiry
Batchno.20250509 25g In stock Inquiry
Batchno.20260110 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250922 25g In stock Shanghai Inquiry
Batchno.20250120 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-159833
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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 52709-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

52709-84-9 / 4-(4-octylphenyl)benzonitrile

Standard CAS: 52709-84-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
52709-84-9
Multi CAS
Yes
Molecular Formula
C21H25N
Molecular Weight
291.400000
Exact Mass
291.198700
InChI
InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3
InChIKey
CSQPODPWWMOTIY-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid or crystalline solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
93.67
TPSA
23.79

LogP / Solubility

WLOGP
6.13
MLOGP
5.4
XLogP3
7.3
Consensus LogP
6.28
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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
No
Log Kp (skin permeation)
-0.15

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
2.5

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