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CAS 82228-89-5 4-FORMYL-1-METHYL-PYRIDINIUM BENZENESULFONATE molecular structure lightbox
CAS RN: 82228-89-5

4-FORMYL-1-METHYL-PYRIDINIUM BENZENESULFONATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: SSC-190428
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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: 1g
  • 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 82228-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

82228-89-5 / benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde

Standard CAS: 82228-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82228-89-5
Multi CAS
Yes
Molecular Formula
C13H13NO4S
Molecular Weight
279.310000
Exact Mass
279.056529
InChI
InChI=1S/C7H8NO.C6H6O3S/c1-8-4-2-7(6-9)3-5-8;7-10(8,9)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H,7,8,9)/q+1;/p-1
InChIKey
HSVLGIFAXFDLMU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.41
TPSA
78.15

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
0.91
Consensus LogP
0.88
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.77

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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