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CAS 400073-68-9 Methyl N-Boc-2-oxopiperidine-3-carboxylate molecular structure lightbox
CAS RN: 400073-68-9

Methyl N-Boc-2-oxopiperidine-3-carboxylate

  • Product code: SSC-147875
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 400073-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

400073-68-9 / 1-O-tert-butyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate

Standard CAS: 400073-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400073-68-9
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-7-5-6-8(9(13)14)10(15)17-4/h8H,5-7H2,1-4H3
InChIKey
QGBUILFJIXXYKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
62.69
TPSA
72.91

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.34

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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