![CAS 1820686-51-8 Ethyl 5-[4-(Ethoxycarbonyl)phenyl]isoxazole-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22677008.gif)
CAS RN: 1820686-51-8
Ethyl 5-[4-(Ethoxycarbonyl)phenyl]isoxazole-3-carboxylate
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.20260605 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082888
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1820686-51-8 / ethyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
Basic Information
CAS
1820686-51-8
Multi CAS
No
Molecular Formula
C15H15NO5
Molecular Weight
289.280000
Exact Mass
289.095023
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC(=NO2)C(=O)OCC
InChI
InChI=1S/C15H15NO5/c1-3-19-14(17)11-7-5-10(6-8-11)13-9-12(16-21-13)15(18)20-4-2/h5-9H,3-4H2,1-2H3
InChIKey
SCOVHUHETCHRMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
73.85
TPSA
78.63
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.8
Consensus LogP
2.63
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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