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CAS 54211-46-0 4-Cyano-4”-pentyl-p-terphenyl molecular structure lightbox
CAS RN: 54211-46-0

4-Cyano-4”-pentyl-p-terphenyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250821 500mg / 2.5g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-161826
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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: 10g
  • 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 54211-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

54211-46-0 / 4-[4-(4-pentylphenyl)phenyl]benzonitrile

Standard CAS: 54211-46-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54211-46-0
Multi CAS
Yes
Molecular Formula
C24H23N
Molecular Weight
325.400000
Exact Mass
325.183050
InChI
InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3
InChIKey
AITQOXOBSMXBRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
105.26
TPSA
23.79

LogP / Solubility

WLOGP
6.62
MLOGP
5.85
XLogP3
7
Consensus LogP
6.49
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
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

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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