CAS RN: 188182-79-8
ETHYL 2-FLUORO-4-METHOXYBENZOYLACETATE
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.20250729 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS188182-79-8
- Purity/Analytical Methods: >99.0%
188182-79-8 / ethyl 3-(2-fluoro-4-methoxyphenyl)-3-oxopropanoate
Basic Information
CAS
188182-79-8
Multi CAS
No
Molecular Formula
C12H13FO4
Molecular Weight
240.230000
Exact Mass
240.079787
SMILES
CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)F
InChI
InChI=1S/C12H13FO4/c1-3-17-12(15)7-11(14)9-5-4-8(16-2)6-10(9)13/h4-6H,3,7H2,1-2H3
InChIKey
FPBQJGFCDJXLLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
58.53
TPSA
52.6
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
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)
-2.79
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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