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CAS 2828446-66-6 Piperidin-3-one-hydrochloride Hydrate molecular structure lightbox
CAS RN: 2828446-66-6

Piperidin-3-one-hydrochloride Hydrate

  • Product code: SSC-129302
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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, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2828446-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry

2828446-66-6 / piperidin-3-one;hydrate;hydrochloride

Standard CAS: 2828446-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2828446-66-6
Multi CAS
No
Molecular Formula
C5H12CLNO2
Molecular Weight
153.610000
Exact Mass
153.055656
InChI
InChI=1S/C5H9NO.ClH.H2O/c7-5-2-1-3-6-4-5;;/h6H,1-4H2;1H;1H2
InChIKey
JTFOMVYAEVZHKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.97
TPSA
60.6

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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