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CAS 32210-23-4 4-tert-Butylcyclohexyl Acetate (cis- and trans- mixture) molecular structure lightbox
CAS RN: 32210-23-4

4-tert-Butylcyclohexyl Acetate (cis- and trans- mixture)

  • Product code: SSC-137780
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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: 0
  • 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 32210-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml 0 0 Out of Stock Shenzhen Inquiry

32210-23-4 / (4-tert-butylcyclohexyl) acetate

Standard CAS: 32210-23-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
32210-23-4
Multi CAS
Yes
Molecular Formula
C12H22O2
Molecular Weight
198.300000
Exact Mass
198.161980
InChI
InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey
MBZRJSQZCBXRGK-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder, Water or Solvent Wet Solid, Liquid; Dry Powder, Liquid, Other Solid; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.97
TPSA
26.3

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.4
Consensus LogP
3.11
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

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

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