CAS RN: 67284-56-4

trans-4′-cyano[1,1′-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-176974
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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 67284-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

67284-56-4 / [4-(4-cyanophenyl)phenyl] 4-ethylcyclohexane-1-carboxylate

Standard CAS: 67284-56-4 Multi CAS: No

Basic Information

CAS
67284-56-4
Multi CAS
No
Molecular Formula
C22H23NO2
Molecular Weight
333.400000
Exact Mass
333.172879
InChI
InChI=1S/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3
InChIKey
OYZITXKNUGHHKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
97.97
TPSA
50.09

LogP / Solubility

WLOGP
5.35
MLOGP
4.72
XLogP3
5.9
Consensus LogP
5.32
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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