CAS RN: 1444616-23-2
4-(4-Propoxyphenyl)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.20250813 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1444616-23-2
- Purity/Analytical Methods: >99.0%
1444616-23-2 / 4-(4-propoxyphenyl)cyclohexan-1-one
Basic Information
CAS
1444616-23-2
Multi CAS
No
Molecular Formula
C15H20O2
Molecular Weight
232.320000
Exact Mass
232.146330
SMILES
CCCOC1=CC=C(C=C1)C2CCC(=O)CC2
InChI
InChI=1S/C15H20O2/c1-2-11-17-15-9-5-13(6-10-15)12-3-7-14(16)8-4-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKey
JBRFZUFQNBTUAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
68.44
TPSA
26.3
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3
Consensus LogP
3.32
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.51
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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