CAS RN: 1115-30-6
DIETHYL ACETYLSUCCINATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-012198
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 500g | -- | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
1115-30-6 / diethyl 2-acetylbutanedioate
Diethyl 2-acetylsuccinate | NSC 233 | EINECS 214-223-8
Basic Information
CAS
1115-30-6
Multi CAS
Yes
Molecular Formula
C10H16O5
Molecular Weight
216.230000
Exact Mass
216.099774
SMILES
CCOC(=O)CC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
InChIKey
DVSDDICSXBCMQJ-UHFFFAOYSA-N
Synonyms
Diethyl 2-acetylsuccinate
NSC 233
EINECS 214-223-8
Butanedioic acid, 2-acetyl-, 1,4-diethyl ester
AI3-05620
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
52.05
TPSA
69.67
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
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)
-3.54
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
2
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.
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