![CAS 52179-28-9 ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52179-28-9.gif)
CAS RN: 52179-28-9
ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52179-28-9
- Purity/Analytical Methods: >99.0%
52179-28-9 / ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate
Basic Information
CAS
52179-28-9
Multi CAS
Yes
Molecular Formula
C15H18CL2O3
Molecular Weight
317.200000
Exact Mass
316.063300
InChI
InChI=1S/C15H18Cl2O3/c1-4-19-13(18)14(2,3)20-11-7-5-10(6-8-11)12-9-15(12,16)17/h5-8,12H,4,9H2,1-3H3
InChIKey
UHYJTDLWNOQAFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
79.58
TPSA
35.53
LogP / Solubility
WLOGP
4.07
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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