CAS RN: 69556-70-3
4-METHOXY-2(5H)-FURANONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69556-70-3
- Purity/Analytical Methods: >99.0%
69556-70-3 / 3-methyloxolane-2,4-dione
Basic Information
CAS
69556-70-3
Multi CAS
Yes
Molecular Formula
C5H6O3
Molecular Weight
114.100000
Exact Mass
114.031694
InChI
InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
InChIKey
VOYDEHILKLSVNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.6
H-bond acceptors
3
Molar refractivity
25.13
TPSA
43.37
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.23
XLogP3
0.4
Consensus LogP
-0.03
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-3.59
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
2
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