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CAS 1799811-83-8 1-(tert-butyl) 2-methyl (R)-4-oxopiperidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 1799811-83-8

1-(tert-butyl) 2-methyl (R)-4-oxopiperidine-1,2-dicarboxylate

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100g In stock Shanghai Inquiry
Batchno.20251113 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250714 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250612 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250320 25g In stock Shanghai Inquiry
Batchno.20260607 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS1799811-83-8
  • Purity/Analytical Methods: >99.0%
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1799811-83-8 / 1-O-tert-butyl 2-O-methyl (2R)-4-oxopiperidine-1,2-dicarboxylate

Standard CAS: 1799811-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799811-83-8
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKey
ROHLQPZIUYTLGR-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
0.5
Consensus LogP
0.88
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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