Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
142935-44-2 / (3,3-diethyl-4-oxoazetidin-2-yl) propanoate
Basic Information
CAS
142935-44-2
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CCC(=O)OC1C(C(=O)N1)(CC)CC
InChI
InChI=1S/C10H17NO3/c1-4-7(12)14-9-10(5-2,6-3)8(13)11-9/h9H,4-6H2,1-3H3,(H,11,13)
InChIKey
JEUBRNMPSDDATF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.33
TPSA
55.4
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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