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CAS 27538-10-9 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone (mixture of isomers) molecular structure lightbox
CAS RN: 27538-10-9

2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone (mixture of isomers)

  • Product code: SSC-127054
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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: 25g
  • 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 27538-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

27538-10-9 / 2-ethyl-4-hydroxy-5-methylfuran-3-one

Standard CAS: 27538-10-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27538-10-9
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
InChIKey
GWCRPYGYVRXVLI-UHFFFAOYSA-N

Physical Properties

Boiling Point
103.00 °C. @ 15.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.5
TPSA
46.53

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-2.77

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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