CAS RN: 1360547-42-7
rac 3-Bocamino-2-oxo-piperidine-3-carboxylic acid ethyl ester
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.20250526 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1360547-42-7
- Purity/Analytical Methods: >99.0%
1360547-42-7 / ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-3-carboxylate
Basic Information
CAS
1360547-42-7
Multi CAS
No
Molecular Formula
C13H22N2O5
Molecular Weight
286.320000
Exact Mass
286.152872
SMILES
CCOC(=O)C1(CCCNC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H22N2O5/c1-5-19-10(17)13(7-6-8-14-9(13)16)15-11(18)20-12(2,3)4/h5-8H2,1-4H3,(H,14,16)(H,15,18)
InChIKey
HPBVYQVLKBUIJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.98
TPSA
93.73
LogP / Solubility
WLOGP
0.72
MLOGP
0.65
XLogP3
1.1
Consensus LogP
0.82
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.95
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
2
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![CAS 1360547-55-2 Propanoic acid, 2,2-dimethyl-, 1,1′-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-2′,4,4′,5′,7,7′-hexachloro-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3′,6′-diyl] ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360547-55-2.gif)
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