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CAS 768-48-9 4-Acetoxy-2-cyclopenten-1-one molecular structure lightbox
CAS RN: 768-48-9

4-Acetoxy-2-cyclopenten-1-one

  • Product code: SSC-186212
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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 768-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

768-48-9 / (4-oxocyclopent-2-en-1-yl) acetate

Standard CAS: 768-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
768-48-9
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
InChI
InChI=1S/C7H8O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,7H,4H2,1H3
InChIKey
YNCKAQVPQJWLJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.32
TPSA
43.37

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
Consensus LogP
0.28
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
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)
-3.26

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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