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CAS 4077-47-8 2,5-Dimethyl-4-methoxy-3(2H)-furanone molecular structure lightbox
CAS RN: 4077-47-8

2,5-Dimethyl-4-methoxy-3(2H)-furanone

  • Product code: SSC-149111
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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 4077-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

4077-47-8 / 4-methoxy-2,5-dimethylfuran-3-one

Standard CAS: 4077-47-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4077-47-8
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3
InChIKey
SIMKGHMLPVDSJE-UHFFFAOYSA-N

Physical Properties

Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
Density
1.091-1.097
Physical Description
Colourless liquid; Sweet, carmellic, burnt sugar, aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.26
TPSA
35.53

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.98

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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