CAS RN: 150763-13-6
4-(4-Ethylcyclohexyl)cyclohexanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS150763-13-6
- Purity/Analytical Methods: >99.0%
150763-13-6 / 4-(4-ethylcyclohexyl)cyclohexan-1-one
Basic Information
CAS
150763-13-6
Multi CAS
No
Molecular Formula
C14H24O
Molecular Weight
208.340000
Exact Mass
208.182715
SMILES
CCC1CCC(CC1)C2CCC(=O)CC2
InChI
InChI=1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3
InChIKey
ICCIOWLZPJIEBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.7
TPSA
17.07
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
4.2
Consensus LogP
3.88
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
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