CAS RN: 7486-91-1
3,3-Dimethylazetidinone
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.20250218 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS7486-91-1
- Purity/Analytical Methods: >99.0%
7486-91-1 / 3,3-dimethylazetidin-2-one
Basic Information
CAS
7486-91-1
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
InChI
InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKey
DCAKVVTXKWWUGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.79
TPSA
29.1
LogP / Solubility
WLOGP
0.14
MLOGP
0.11
XLogP3
0.2
Consensus LogP
0.15
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.22
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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