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CAS 41122-71-8 4-Cyano-4′-heptylbiphenyl molecular structure lightbox
CAS RN: 41122-71-8

4-Cyano-4′-heptylbiphenyl

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 100g In stock Shanghai Inquiry
Batchno.20260323 10g In stock Shanghai Inquiry
Batchno.20250904 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260620 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20251219 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260308 25g In stock Shanghai Inquiry
Batchno.20250610 500g In stock Shanghai Inquiry
Batchno.20251130 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-149531
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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 41122-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

41122-71-8 / 4-(4-heptylphenyl)benzonitrile

Standard CAS: 41122-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41122-71-8
Multi CAS
Yes
Molecular Formula
C20H23N
Molecular Weight
277.400000
Exact Mass
277.183050
InChI
InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
InChIKey
ZGOWXOZNUNZPAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
89.06
TPSA
23.79

LogP / Solubility

WLOGP
5.74
MLOGP
5.06
XLogP3
6.8
Consensus LogP
5.87
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.07
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)
-0.34

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
2.5

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