CAS RN: 6124-79-4
4-Methyl-2(5H)-furanone
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-170014
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: 5ml
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5ml | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
6124-79-4 / 3-methyl-2H-furan-5-one
Basic Information
CAS
6124-79-4
Multi CAS
No
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
InChI
InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3
InChIKey
ZZEYQBNQZKUWKY-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
0.1
Consensus LogP
0.34
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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