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CAS 23271-47-8 1-Propylpyridinium Chloride molecular structure lightbox
CAS RN: 23271-47-8

1-Propylpyridinium Chloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 100g Out of stock 5-7 business days Inquiry
Batchno.20260316 1g In stock Shanghai, Shandong Inquiry
Batchno.20250923 25g In stock Shanghai Inquiry
Batchno.20250914 5g In stock Shandong Inquiry
  • Product code: SSC-112965
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23271-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

23271-47-8 / 1-propylpyridin-1-ium chloride

Standard CAS: 23271-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23271-47-8
Multi CAS
No
Molecular Formula
C8H12ClN
Molecular Weight
157.640000
Exact Mass
157.065827
SMILES
CCC[N+]1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C8H12N.ClH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1
InChIKey
IBOIUWAYPMADRC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
36.93
TPSA
3.88

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.42
XLogP3
-1.61
Consensus LogP
-1.55
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
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)
-4.83

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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