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CAS 84100-23-2 4-tert-Butylcyclohexyl Acrylate (cis- and trans- mixture) (stabilized with MEHQ) molecular structure lightbox
CAS RN: 84100-23-2

4-tert-Butylcyclohexyl Acrylate (cis- and trans- mixture) (stabilized with MEHQ)

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Batchno.20250731 25g Out of stock Inquiry
  • Product code: ICTB6059
  • Purity/Analytical Methods: >92.0%(GC)
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84100-23-2 / (4-tert-butylcyclohexyl) prop-2-enoate

Standard CAS: 84100-23-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
84100-23-2
Multi CAS
No
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
InChI
InChI=1S/C13H22O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKey
LAIJAUHBAWLPCO-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.49
TPSA
26.3

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
4
Consensus LogP
3.41
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-1.65

Drug-likeness / Medicinal Chemistry

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

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