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CAS 20826-94-2 Ethyl 2-Oxocyclopentaneacetate molecular structure lightbox
CAS RN: 20826-94-2

Ethyl 2-Oxocyclopentaneacetate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250208 100g In stock Inquiry
Batchno.20260428 1g In stock Inquiry
Batchno.20250713 200mg In stock Inquiry
Batchno.20260522 25g In stock Inquiry
Batchno.20250617 5g In stock Inquiry
  • Product code: SSC-097947
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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: 10g
  • Available purity: ＞97%
  • 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 20826-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

20826-94-2 / ethyl 2-(2-oxocyclopentyl)acetate

Standard CAS: 20826-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20826-94-2
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
SMILES
CCOC(=O)CC1CCCC1=O
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3
InChIKey
PJMKFKUFBDXYEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
43.6
TPSA
43.37

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.6
Consensus LogP
1.02
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.9
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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