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CAS 156293-34-4 cis-4-Oxo-1,2-cyclopentanedicarboxylic acid diethyl ester molecular structure lightbox
CAS RN: 156293-34-4

cis-4-Oxo-1,2-cyclopentanedicarboxylic acid diethyl ester

  • Product code: SSC-065314
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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: 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 156293-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

156293-34-4 / cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

Standard CAS: 156293-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156293-34-4
Multi CAS
No
Molecular Formula
C11H16O5
Molecular Weight
228.240000
Exact Mass
228.099774
SMILES
CCOC(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)OCC
InChI
InChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3/t8-,9+
InChIKey
GRPKMLGYFVVOJS-DTORHVGOSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
54.49
TPSA
69.67

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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