CAS RN: 5848-33-9
2-Methyl-4H-pyran-4-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5848-33-9
- Purity/Analytical Methods: >99.0%
5848-33-9 / 2-methylpyran-4-one
Basic Information
CAS
5848-33-9
Multi CAS
No
Molecular Formula
C6H6O2
Molecular Weight
110.110000
Exact Mass
110.036779
InChI
InChI=1S/C6H6O2/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKey
NQOJWZRPLXJDPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
Molar refractivity
29.71
TPSA
30.21
LogP / Solubility
WLOGP
0.95
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-2.72
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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