CAS RN: 74694-50-1
4-(Iodomethyl)azetidin-2-one
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.20260209 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74694-50-1
- Purity/Analytical Methods: >99.0%
74694-50-1 / 4-(iodomethyl)azetidin-2-one
Basic Information
CAS
74694-50-1
Multi CAS
No
Molecular Formula
C4H6InO
Molecular Weight
211.000000
Exact Mass
210.949410
InChI
InChI=1S/C4H6INO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)
InChIKey
QHSNSUAFJJIIQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.43
TPSA
29.1
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.79
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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