CAS RN: 1257293-71-2
1-Boc-3-(3-oxo-1-piperazinyl)azetidine
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.20260317 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1257293-71-2
- Purity/Analytical Methods: >99.0%
1257293-71-2 / tert-butyl 3-(3-oxopiperazin-1-yl)azetidine-1-carboxylate
Basic Information
CAS
1257293-71-2
Multi CAS
No
Molecular Formula
C12H21N3O3
Molecular Weight
255.310000
Exact Mass
255.158292
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCNC(=O)C2
InChI
InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-6-9(7-15)14-5-4-13-10(16)8-14/h9H,4-8H2,1-3H3,(H,13,16)
InChIKey
ZYOPXPCGSUAHOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.18
TPSA
61.88
LogP / Solubility
WLOGP
0.04
MLOGP
0.04
XLogP3
0.1
Consensus LogP
0.06
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-,1,1-diMethylethyl ester
- CAS RN: 1257293-73-4
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- Purity/Analytical method: >99.0%
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tert-Butyl 3-(3-hydroxyazetidin-1-yl)azetidine-1-carboxylate
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