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CAS 1575-54-8 5-hydroxy-3,4-diMethylfuran-2(5H)-one molecular structure lightbox
CAS RN: 1575-54-8

5-hydroxy-3,4-diMethylfuran-2(5H)-one

  • Product code: SSC-066433
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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 1575-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1575-54-8 / 2-hydroxy-3,4-dimethyl-2H-furan-5-one

Standard CAS: 1575-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1575-54-8
Multi CAS
No
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
SMILES
CC1=C(C(=O)OC1O)C
InChI
InChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h5,7H,1-2H3
InChIKey
NVXHBLAEBCZZHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.47
TPSA
46.53

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
Consensus LogP
0.12
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
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)
-3.36

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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