CAS RN: 22121-86-4
ethyl 2-ethoxy acrylate
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.20260227 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22121-86-4
- Purity/Analytical Methods: >99.0%
22121-86-4 / ethyl 2-ethoxyprop-2-enoate
Basic Information
CAS
22121-86-4
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
SMILES
CCOC(=C)C(=O)OCC
InChI
InChI=1S/C7H12O3/c1-4-9-6(3)7(8)10-5-2/h3-5H2,1-2H3
InChIKey
WXMSGMOIAQWILS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
37.4
TPSA
35.53
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
1.6
Consensus LogP
1.22
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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