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CAS 42508-60-1 1-Acetonylpyridinium Chloride molecular structure lightbox
CAS RN: 42508-60-1

1-Acetonylpyridinium Chloride

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100g In stock Inquiry
Batchno.20250528 1g In stock Inquiry
Batchno.20260329 25g In stock Inquiry
Batchno.20250919 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-150805
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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, 10g, 25g, 100g
  • Available purity: ＞98%
  • Inventory rows with stock: 3
  • 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 42508-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞98% 1 In Stock Shenzhen Inquiry
10g ＞98% 1 In Stock Beijing Inquiry
25g ＞98% 1 In Stock Beijing Inquiry
100g ＞98% 0 Out of Stock Shenzhen Inquiry

42508-60-1 / 1-pyridin-1-ium-1-ylpropan-2-one chloride

Standard CAS: 42508-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42508-60-1
Multi CAS
Yes
Molecular Formula
C8H10CLNO
Molecular Weight
171.620000
Exact Mass
171.045092
InChI
InChI=1S/C8H10NO.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1
InChIKey
JHYYWKUENNZTMD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
37.32
TPSA
20.95

LogP / Solubility

WLOGP
-2.43
MLOGP
-2.14
XLogP3
-2.43
Consensus LogP
-2.33
Log S (ESOL)
0.36
Class (ESOL)
Highly soluble
Log S (Ali)
0.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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