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CAS 87922-76-7 5-(3-Chlorophenyl)-2-piperidone molecular structure lightbox
CAS RN: 87922-76-7

5-(3-Chlorophenyl)-2-piperidone

  • Product code: SSC-198293
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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, 0.25g, 5g, 1g
  • 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 87922-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry

87922-76-7 / 5-(3-chlorophenyl)piperidin-2-one

Standard CAS: 87922-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87922-76-7
Multi CAS
No
Molecular Formula
C11H12CLNO
Molecular Weight
209.670000
Exact Mass
209.060742
InChI
InChI=1S/C11H12ClNO/c12-10-3-1-2-8(6-10)9-4-5-11(14)13-7-9/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKey
HKDUFNVHBJHPCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.44
TPSA
29.1

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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