CAS RN: 138650-60-9
3-Aminooxetane-3-carboxamide
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.20260413 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS138650-60-9
- Purity/Analytical Methods: >99.0%
138650-60-9 / 3-aminooxetane-3-carboxamide
Basic Information
CAS
138650-60-9
Multi CAS
No
Molecular Formula
C4H8N2O2
Molecular Weight
116.120000
Exact Mass
116.058578
SMILES
C1C(CO1)(C(=O)N)N
InChI
InChI=1S/C4H8N2O2/c5-3(7)4(6)1-8-2-4/h1-2,6H2,(H2,5,7)
InChIKey
DEMGHQQCSFGXDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
26.93
TPSA
78.34
LogP / Solubility
WLOGP
-1.8
MLOGP
-1.59
XLogP3
-2.3
Consensus LogP
-1.9
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.96
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71
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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