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CAS 22122-36-7 3-Methyl-2(5H)-furanone molecular structure lightbox
CAS RN: 22122-36-7

3-Methyl-2(5H)-furanone

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 1ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20251209 25ml Out of stock 30 business days Inquiry
Batchno.20250426 5ml In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260319 1ml In stock Shandong Inquiry
Batchno.20250814 5ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-106452
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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: ≥97%
  • 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 22122-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

22122-36-7 / 4-methyl-2H-furan-5-one

Standard CAS: 22122-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22122-36-7
Multi CAS
No
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
SMILES
CC1=CCOC1=O
InChI
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
InChIKey
VGHBEMPMIVEGJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
24.72
TPSA
26.3

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.6
Consensus LogP
0.5
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-2.97

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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