CAS RN: 4426-51-1
4-methyl-1,3,2-dioxathiane 2-oxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250105 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS4426-51-1
- Purity/Analytical Methods: >99.0%
4426-51-1 / 4-methyl-1,3,2-dioxathiane 2-oxide
Basic Information
CAS
4426-51-1
Multi CAS
Yes
Molecular Formula
C4H8O3S
Molecular Weight
136.170000
Exact Mass
136.019415
InChI
InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKey
WGMZCGUVEQNCCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
29.26
TPSA
35.53
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.8
Consensus LogP
0.51
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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