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CAS 83242-83-5 trans-4-Propylcyclohexyl trans,trans-4′-Propylbicyclohexyl-4-carboxylate molecular structure lightbox
CAS RN: 83242-83-5

trans-4-Propylcyclohexyl trans,trans-4′-Propylbicyclohexyl-4-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 200mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-191123
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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: 1g
  • Available purity: ≥95%
  • 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 83242-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

83242-83-5 / (4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

Standard CAS: 83242-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83242-83-5
Multi CAS
No
Molecular Formula
C25H44O2
Molecular Weight
376.600000
Exact Mass
376.334131
InChI
InChI=1S/C25H44O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h19-24H,3-18H2,1-2H3
InChIKey
ITVBZSWXRMMPFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.96
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
112.55
TPSA
26.3

LogP / Solubility

WLOGP
7.3
MLOGP
6.45
XLogP3
9.1
Consensus LogP
7.62
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.17

Drug-likeness / Medicinal Chemistry

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

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