CAS RN: 10203-58-4
Diethyl Isobutylmalonate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260120 | 100g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251129 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250506 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260323 | 500g | Out of stock | Inquiry | |
| Batchno.20260416 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-003277
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
10203-58-4 / diethyl 2-(2-methylpropyl)propanedioate
DIETHYL ISOBUTYLMALONATE | Diethyl 2-isobutylmalonate | Propanedioic acid, (2-methylpropyl)-, diethyl ester
Basic Information
CAS
10203-58-4
Multi CAS
Yes
Molecular Formula
C11H20O4
Molecular Weight
216.270000
Exact Mass
216.136159
SMILES
CCOC(=O)C(CC(C)C)C(=O)OCC
InChI
InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3
InChIKey
OFRFGNSZCYDFOH-UHFFFAOYSA-N
Synonyms
DIETHYL ISOBUTYLMALONATE
Diethyl 2-isobutylmalonate
Propanedioic acid, (2-methylpropyl)-, diethyl ester
Propanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl ester
Malonic acid, isobutyl-, diethyl ester
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
56.21
TPSA
52.6
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.78
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
