CAS RN: 1821774-86-0
(2R,6R)-2,6-Dimethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1821774-86-0
- Purity/Analytical Methods: >99.0%
1821774-86-0 / tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate
Basic Information
CAS
1821774-86-0
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
C[C@@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey
ADBYGASBXODWTQ-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.24
TPSA
46.61
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
1.4
Consensus LogP
1.95
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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