![CAS 913849-17-9 Ethyl 2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxy]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913849-17-9.gif)
CAS RN: 913849-17-9
Ethyl 2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxy]propanoate
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 / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS913849-17-9
- Purity/Analytical Methods: >99.0%
913849-17-9 / ethyl 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
Basic Information
CAS
913849-17-9
Multi CAS
No
Molecular Formula
C12F3H14NO3
Molecular Weight
277.240000
Exact Mass
277.092578
InChI
InChI=1S/C12H14F3NO3/c1-4-18-10(17)11(2,3)19-9-6-5-8(7-16-9)12(13,14)15/h5-7H,4H2,1-3H3
InChIKey
YPJQHNRUYWGMGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.58
TPSA
48.42
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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