CAS RN: 52119-39-8
ETHYL (2-NITROBENZOYL)ACETATE
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.20250114 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-159209
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: 0.1g, 0.25g, 1g, 10g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 0.1g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
52119-39-8 / ethyl 3-(2-nitrophenyl)-3-oxopropanoate
Basic Information
CAS
52119-39-8
Multi CAS
Yes
Molecular Formula
C11H11NO5
Molecular Weight
237.210000
Exact Mass
237.063722
InChI
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
InChIKey
OWZNCVIBJQPNEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
58.68
TPSA
86.51
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
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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- CAS RN: 52129-99-4
- Product Code: starshine_CAS52129-99-4
- Purity/Analytical method: >99.0%
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