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CAS 20825-71-2 3-Butenoic acid, 4-hydroxy-, gamma-lactone molecular structure lightbox
CAS RN: 20825-71-2

3-Butenoic acid, 4-hydroxy-, gamma-lactone

  • Product code: SSC-097936
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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: 3
  • 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 20825-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry

20825-71-2 / 3H-furan-2-one

Standard CAS: 20825-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20825-71-2
Multi CAS
No
Molecular Formula
C4H4O2
Molecular Weight
84.070000
Exact Mass
84.021129
SMILES
C1C=COC1=O
InChI
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2
InChIKey
RHDGNLCLDBVESU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
19.85
TPSA
26.3

LogP / Solubility

WLOGP
0.45
MLOGP
0.38
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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