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CAS 39911-06-3 2′-(1-Piperidinyl)acetophenone molecular structure lightbox
CAS RN: 39911-06-3

2′-(1-Piperidinyl)acetophenone

  • Product code: SSC-147738
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 39911-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

39911-06-3 / 1-(2-piperidin-1-ylphenyl)ethanone

Standard CAS: 39911-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39911-06-3
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
InChI
InChI=1S/C13H17NO/c1-11(15)12-7-3-4-8-13(12)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
VDRKZEDBPNTPBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.51
TPSA
20.31

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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