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CAS 327069-50-1 1-(2,4-Dichlorobenzoyl)-4-Methylpiperidine molecular structure lightbox
CAS RN: 327069-50-1

1-(2,4-Dichlorobenzoyl)-4-Methylpiperidine

  • Product code: SSC-138385
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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: 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 327069-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry

327069-50-1 / (2,4-dichlorophenyl)-(4-methylpiperidin-1-yl)methanone

Standard CAS: 327069-50-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327069-50-1
Multi CAS
No
Molecular Formula
C13H15CL2NO
Molecular Weight
272.170000
Exact Mass
271.053070
InChI
InChI=1S/C13H15Cl2NO/c1-9-4-6-16(7-5-9)13(17)11-3-2-10(14)8-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKey
NXSPVAMXDGIDFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.76
TPSA
20.31

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.9
Consensus LogP
3.73
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

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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