CAS RN: 163671-48-5
Cyclohexanone, 4-(4-ethoxyphenyl)- (9CI)
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.20250709 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS163671-48-5
- Purity/Analytical Methods: >99.0%
163671-48-5 / 4-(4-ethoxyphenyl)cyclohexan-1-one
Basic Information
CAS
163671-48-5
Multi CAS
No
Molecular Formula
C14H18O2
Molecular Weight
218.290000
Exact Mass
218.130680
SMILES
CCOC1=CC=C(C=C1)C2CCC(=O)CC2
InChI
InChI=1S/C14H18O2/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKey
VBGMDGDDOADTCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.83
TPSA
26.3
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
2.5
Consensus LogP
2.91
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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