CAS RN: 31470-16-3
2H-Pyran-2,4(3H)-dione(9CI)
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.20250912 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS31470-16-3
- Purity/Analytical Methods: >99.0%
31470-16-3 / pyran-2,4-dione
Basic Information
CAS
31470-16-3
Multi CAS
Yes
Molecular Formula
C5H4O3
Molecular Weight
112.080000
Exact Mass
112.016044
InChI
InChI=1S/C5H4O3/c6-4-1-2-8-5(7)3-4/h1-2H,3H2
InChIKey
MERGMNQXULKBCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
24.86
TPSA
43.37
LogP / Solubility
WLOGP
0.02
XLogP3
-0.1
Consensus LogP
-0.03
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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