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CAS 193274-53-2 1-TERT-BUTYL 3-METHYL 3-METHYL-4-OXOPIPERIDINE-1,3-DICARBOXYLATE molecular structure lightbox
CAS RN: 193274-53-2

1-TERT-BUTYL 3-METHYL 3-METHYL-4-OXOPIPERIDINE-1,3-DICARBOXYLATE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 100mg In stock Shanghai Inquiry
Batchno.20260105 10g In stock Shanghai Inquiry
Batchno.20250710 1g In stock Shanghai Inquiry
Batchno.20260701 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250909 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS193274-53-2
  • Purity/Analytical Methods: >99.0%
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193274-53-2 / 1-O-tert-butyl 3-O-methyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate

Standard CAS: 193274-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193274-53-2
Multi CAS
No
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
SMILES
CC1(CN(CCC1=O)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-6-9(15)13(4,8-14)10(16)18-5/h6-8H2,1-5H3
InChIKey
IDSNQTJSDFUAEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
67.55
TPSA
72.91

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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