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CAS 2855-27-8 1,2,4-Trivinylcyclohexane (mixture of isomers) molecular structure lightbox
CAS RN: 2855-27-8

1,2,4-Trivinylcyclohexane (mixture of isomers)

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 5ml / 25ml / 100ml Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 5ml In stock Shanghai Inquiry
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Batchno.20260603 10g Out of stock Inquiry
Batchno.20251025 5g Out of stock Inquiry
  • Product code: ICTT0899
  • Purity/Analytical Methods: >97.0%(GC)
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2855-27-8 / 1,2,4-tris(ethenyl)cyclohexane

Standard CAS: 2855-27-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2855-27-8
Multi CAS
Yes
Molecular Formula
C12H18
Molecular Weight
162.270000
Exact Mass
162.140851
InChI
InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2
InChIKey
KTRQRAQRHBLCSQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
Molar refractivity
54.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.58
MLOGP
3.14
XLogP3
4.3
Consensus LogP
3.67
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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