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CAS 52709-87-2 4-Butoxy-4′-cyanobiphenyl molecular structure lightbox
CAS RN: 52709-87-2

4-Butoxy-4′-cyanobiphenyl

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 1g In stock Inquiry
Batchno.20260320 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
Batchno.20251215 25g In stock Inquiry
Batchno.20250218 5g In stock Inquiry
  • Product code: SSC-159835
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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: ＞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 52709-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

52709-87-2 / 4-(4-butoxyphenyl)benzonitrile

Standard CAS: 52709-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52709-87-2
Multi CAS
Yes
Molecular Formula
C17H17NO
Molecular Weight
251.320000
Exact Mass
251.131014
InChI
InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChIKey
KPQVQWUNELODQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
77
TPSA
33.02

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.5
Consensus LogP
4.26
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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