CAS RN: 1392803-42-7
3-(Boc-aMinoMethyl)-3-Methylazetidine heMioxalate
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.20260329 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1392803-42-7
- Purity/Analytical Methods: >99.0%
1392803-42-7 / tert-butyl N-[(3-methylazetidin-3-yl)methyl]carbamate;oxalic acid
Basic Information
CAS
1392803-42-7
Multi CAS
No
Molecular Formula
C12H22N2O6
Molecular Weight
290.310000
Exact Mass
290.147786
SMILES
CC1(CNC1)CNC(=O)OC(C)(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C10H20N2O2.C2H2O4/c1-9(2,3)14-8(13)12-7-10(4)5-11-6-10;3-1(4)2(5)6/h11H,5-7H2,1-4H3,(H,12,13);(H,3,4)(H,5,6)
InChIKey
NKSRPSDNTABPGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
70.49
TPSA
124.96
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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