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CAS 62439-33-2 p-cyanophenyl trans-4-propylcyclohexanecarboxylate molecular structure lightbox
CAS RN: 62439-33-2

p-cyanophenyl trans-4-propylcyclohexanecarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-171606
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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 62439-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

62439-33-2 / (4-cyanophenyl) 4-propylcyclohexane-1-carboxylate

Standard CAS: 62439-33-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62439-33-2
Multi CAS
Yes
Molecular Formula
C17H21NO2
Molecular Weight
271.350000
Exact Mass
271.157229
InChI
InChI=1S/C17H21NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
InChIKey
LXVTVIQMKOLVSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
77.15
TPSA
50.09

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.8
Consensus LogP
4.15
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

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

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