CAS RN: 448963-98-2
methyl (R)-N-(tert-butoxycarbonyl)-5-oxopiperidine-2-carboxylate
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.20250128 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS448963-98-2
- Purity/Analytical Methods: >99.0%
448963-98-2 / 1-O-tert-butyl 2-O-methyl 5-oxopiperidine-1,2-dicarboxylate
Basic Information
CAS
448963-98-2
Multi CAS
Yes
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-7-8(14)5-6-9(13)10(15)17-4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKey
UCRLFGKYCFXSEA-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
62.99
TPSA
72.91
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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