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CAS 93471-41-1 2,6-Dimethylpyridinium p-Toluenesulfonate molecular structure lightbox
CAS RN: 93471-41-1

2,6-Dimethylpyridinium p-Toluenesulfonate

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 100g Out of stock 5-7 business days Inquiry
Batchno.20260108 1g In stock Shanghai, Shandong Inquiry
Batchno.20250220 25g In stock Shandong Inquiry
Batchno.20250314 5g In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-207726
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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 93471-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

93471-41-1 / 2,6-dimethylpyridin-1-ium;4-methylbenzenesulfonate

Standard CAS: 93471-41-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93471-41-1
Multi CAS
Yes
Molecular Formula
C14H17NO3S
Molecular Weight
279.360000
Exact Mass
279.092915
InChI
InChI=1S/C7H9N.C7H8O3S/c1-6-4-3-5-7(2)8-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey
ZXFCGHQVBSUJLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.61
TPSA
71.34

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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