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CAS 51583-69-8 2-Methyl-1-(3-sulphonatopropyl)quinolinium molecular structure lightbox
CAS RN: 51583-69-8

2-Methyl-1-(3-sulphonatopropyl)quinolinium

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-158494
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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: 10g
  • Available purity: ≥97%
  • 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 51583-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

51583-69-8 / 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate

Standard CAS: 51583-69-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51583-69-8
Multi CAS
Yes
Molecular Formula
C13H15NO3S
Molecular Weight
265.330000
Exact Mass
265.077265
InChI
InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3
InChIKey
XOQBXKBUTMRNQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
68.06
TPSA
61.08

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.8
Consensus LogP
1.46
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-3.37

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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