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CAS 53611-47-5 2-Oxopiperidine-4-methano… molecular structure lightbox
CAS RN: 53611-47-5

2-Oxopiperidine-4-methano…

  • Product code: SSC-160988
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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: 0.1g, 5g, 1g, 10g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 53611-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry

53611-47-5 / 4-(hydroxymethyl)piperidin-2-one

Standard CAS: 53611-47-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53611-47-5
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)
InChIKey
DTSWKQMYYTZZMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.82
TPSA
49.33

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.8
Consensus LogP
-0.58
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.86

Drug-likeness / Medicinal Chemistry

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

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