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CAS 26103-78-6 Diethyl 2-oxo-3-propylsuccinate molecular structure lightbox
CAS RN: 26103-78-6

Diethyl 2-oxo-3-propylsuccinate

  • Product code: SSC-122986
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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: 0.1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26103-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Beijing Inquiry

26103-78-6 / diethyl 2-oxo-3-propylbutanedioate

Standard CAS: 26103-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26103-78-6
Multi CAS
No
Molecular Formula
C11H18O5
Molecular Weight
230.260000
Exact Mass
230.115424
SMILES
CCCC(C(=O)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C11H18O5/c1-4-7-8(10(13)15-5-2)9(12)11(14)16-6-3/h8H,4-7H2,1-3H3
InChIKey
FQQZGZZZSPUFKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
56.67
TPSA
69.67

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
2.2
Consensus LogP
1.42
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-3.35

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

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