CAS RN: 107080-45-5
(S)-4-vinyl-dihydrofuran-2(3H)-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.20260423 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS107080-45-5
- Purity/Analytical Methods: >99.0%
107080-45-5 / (4S)-4-ethenyloxolan-2-one
4-vinyl-dihydrofuran-2(3H)-one | DTXSID90446296 | RefChem:296662
Basic Information
CAS
107080-45-5
Multi CAS
Yes
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
SMILES
C=C[C@@H]1CC(=O)OC1
InChI
InChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h2,5H,1,3-4H2/t5-/m1/s1
InChIKey
AUJAAMXYEHZSLP-RXMQYKEDSA-N
Synonyms
4-vinyl-dihydrofuran-2(3H)-one
DTXSID90446296
RefChem:296662
DTXCID30397117
4-ethenyloxolan-2-one
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.26
TPSA
26.3
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-2.88
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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