CAS RN: 6222-35-1
Cyclohexyl Propionate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTP0504
- Purity/Analytical Methods: >98.0%(GC)
6222-35-1 / cyclohexyl propanoate
Basic Information
CAS
6222-35-1
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
InChI
InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey
MAMMVUWCKMOLSG-UHFFFAOYSA-N
Physical Properties
Density
0.969-0.974
Physical Description
Colourless liquid; apple- and banana-like aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.26
TPSA
26.3
LogP / Solubility
WLOGP
2.27
MLOGP
1.99
XLogP3
2.4
Consensus LogP
2.22
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.06
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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- CAS RN: 104954-58-7
- Product Code: ICTA1349
- Purity/Analytical method: >98.0%(GC)
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