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CAS 52709-83-8 4-Butyl-4′-cyanobiphenyl molecular structure lightbox
CAS RN: 52709-83-8

4-Butyl-4′-cyanobiphenyl

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250316 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250923 10g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260216 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250603 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251122 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251105 5g / 10g / 25g / 250g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-159832
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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 52709-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

52709-83-8 / 4-(4-butylphenyl)benzonitrile

Standard CAS: 52709-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52709-83-8
Multi CAS
Yes
Molecular Formula
C17H17N
Molecular Weight
235.320000
Exact Mass
235.136100
InChI
InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
InChIKey
PJPLBHHDTUICNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
75.21
TPSA
23.79

LogP / Solubility

WLOGP
4.57
MLOGP
4.02
XLogP3
5.1
Consensus LogP
4.56
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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