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CAS 68065-81-6 trans-4′-(4-Amylcyclohexyl)biphenyl-4-carbonitrile molecular structure lightbox
CAS RN: 68065-81-6

trans-4′-(4-Amylcyclohexyl)biphenyl-4-carbonitrile

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260603 100g In stock Shenzhen Inquiry
Batchno.20250424 10g In stock Shanghai Inquiry
Batchno.20251130 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251209 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250810 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250618 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-177780
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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: ≥98%
  • 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 68065-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

68065-81-6 / 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile

Standard CAS: 68065-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68065-81-6
Multi CAS
Yes
Molecular Formula
C24H29N
Molecular Weight
331.500000
Exact Mass
331.230000
InChI
InChI=1S/C24H29N/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/h8-9,12-17,19,21H,2-7,10-11H2,1H3
InChIKey
QKEBUASRTJNJJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
105.43
TPSA
23.79

LogP / Solubility

WLOGP
7.08
MLOGP
6.25
XLogP3
8.2
Consensus LogP
7.18
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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
Log Kp (skin permeation)
0.28

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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