CAS RN: 460081-24-7
4-Oxazolecarboxylicacid,2-ethenyl-,ethylester(9CI)
- Product code: SSC-153590
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, 5g, 25g, 10g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 1 In Stock | Beijing | Inquiry |
460081-24-7 / ethyl 2-ethenyl-1,3-oxazole-4-carboxylate
Basic Information
CAS
460081-24-7
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChIKey
NHZCFRYMZBTWEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.55
TPSA
52.33
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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