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CAS 1126736-22-8 1-((S)-3-Hydroxy-piperidin-1-yl)-ethanone molecular structure lightbox
CAS RN: 1126736-22-8

1-((S)-3-Hydroxy-piperidin-1-yl)-ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-013018
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1126736-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1126736-22-8 / 1-[(3S)-3-hydroxypiperidin-1-yl]ethanone

1-(3-Hydroxypiperidin-1-yl)ethan-1-one | DTXSID40619635 | RefChem:423900

Standard CAS: 1126736-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1126736-22-8
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(=O)N1CCC[C@@H](C1)O
InChI
InChI=1S/C7H13NO2/c1-6(9)8-4-2-3-7(10)5-8/h7,10H,2-5H2,1H3/t7-/m0/s1
InChIKey
HTFMTRPNNXNQRN-ZETCQYMHSA-N
Synonyms
1-(3-Hydroxypiperidin-1-yl)ethan-1-one DTXSID40619635 RefChem:423900 DTXCID50570389 1-(3-hydroxypiperidin-1-yl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.49
TPSA
40.54

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.4
Consensus LogP
-0.14
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-3.6

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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