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CAS 40567-80-4 N-Ethyl-N-(3-sulfopropyl)-3-methylaniline sodium salt (TOPS) molecular structure lightbox
CAS RN: 40567-80-4

N-Ethyl-N-(3-sulfopropyl)-3-methylaniline sodium salt (TOPS)

Product Availability

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8 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100g Out of stock Inquiry
Batchno.20251024 10g Out of stock Inquiry
Batchno.20250426 25g Out of stock Inquiry
Batchno.20250707 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100g In stock Shanghai Inquiry
Batchno.20250610 1g In stock Shandong Inquiry
Batchno.20260326 25g In stock Shanghai, Hebei Inquiry
Batchno.20250907 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-148821
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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 40567-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

40567-80-4 / sodium 3-(N-ethyl-3-methylanilino)propane-1-sulfonate

Standard CAS: 40567-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40567-80-4
Multi CAS
Yes
Molecular Formula
C12H18NNAO3S
Molecular Weight
279.330000
Exact Mass
279.090509
InChI
InChI=1S/C12H19NO3S.Na/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKey
NJZLCEFCAHNYIR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
68.25
TPSA
60.44

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.08
XLogP3
-1.24
Consensus LogP
-1.19
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-5.3

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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