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CAS 54105-66-7 Undecylcyclohexane molecular structure lightbox
CAS RN: 54105-66-7

Undecylcyclohexane

  • Product code: SSC-161656
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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: 25ml
  • Available purity: >99%
  • 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 54105-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml >99% 0 Out of Stock Hong Kong Inquiry

54105-66-7 / undecylcyclohexane

Standard CAS: 54105-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54105-66-7
Multi CAS
No
Molecular Formula
C17H34
Molecular Weight
238.500000
Exact Mass
238.266051
InChI
InChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3
InChIKey
XQQVOBPJWHQXEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
10
Molar refractivity
78.42
TPSA
0.0000

LogP / Solubility

WLOGP
6.49
MLOGP
5.71
XLogP3
8.9
Consensus LogP
7.03
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.43

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
1.5

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