CAS RN: 24393-55-3
(E)-Ethyl 3-(3-Methoxyphenyl)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.20250714 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS24393-55-3
- Purity/Analytical Methods: >99.0%
24393-55-3 / ethyl 3-(3-methoxyphenyl)prop-2-enoate
Basic Information
CAS
24393-55-3
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
CCOC(=O)C=CC1=CC(=CC=C1)OC
InChI
InChI=1S/C12H14O3/c1-3-15-12(13)8-7-10-5-4-6-11(9-10)14-2/h4-9H,3H2,1-2H3/b8-7+
InChIKey
UPOMPRQKAGEXPN-BQYQJAHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
58.66
TPSA
35.53
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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