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CAS 22594-21-4 4-Oxotetrahydrofuran-3-yl acetate molecular structure lightbox
CAS RN: 22594-21-4

4-Oxotetrahydrofuran-3-yl acetate

  • Product code: SSC-110400
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22594-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

22594-21-4 / (4-oxooxolan-3-yl) acetate

Standard CAS: 22594-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22594-21-4
Multi CAS
No
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
SMILES
CC(=O)OC1COCC1=O
InChI
InChI=1S/C6H8O4/c1-4(7)10-6-3-9-2-5(6)8/h6H,2-3H2,1H3
InChIKey
IUAGBUPLXZZWDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
31.38
TPSA
52.6

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.3
Consensus LogP
-0.4
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.94

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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