CAS RN: 80756-83-8
1-benzyl-3-(1-hydroxyethyl)azetidin-2-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926800
80756-83-8 / 1-benzyl-3-(1-hydroxyethyl)azetidin-2-one
Basic Information
CAS
80756-83-8
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
InChI
InChI=1S/C12H15NO2/c1-9(14)11-8-13(12(11)15)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3
InChIKey
OEHRAUQDBGSRAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.03
TPSA
40.54
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1.3
Consensus LogP
1.08
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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