CAS RN: 1598052-28-8
Azetidine, 3-(3-oxetanyloxy)-
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.20250201 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1598052-28-8
- Purity/Analytical Methods: >99.0%
1598052-28-8 / 3-(oxetan-3-yloxy)azetidine
Basic Information
CAS
1598052-28-8
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C1C(CN1)OC2COC2
InChI
InChI=1S/C6H11NO2/c1-5(2-7-1)9-6-3-8-4-6/h5-7H,1-4H2
InChIKey
HQZRAMBGNULHKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.35
TPSA
30.49
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.56
XLogP3
-0.8
Consensus LogP
-0.66
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.95
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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