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CAS 56405-41-5 Sodium 2-((4-formylphenyl)(methyl)amino)ethanesulfonate molecular structure lightbox
CAS RN: 56405-41-5

Sodium 2-((4-formylphenyl)(methyl)amino)ethanesulfonate

  • Product code: SSC-164369
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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: 100g
  • 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 56405-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

56405-41-5 / sodium 2-(4-formyl-N-methylanilino)ethanesulfonate

Standard CAS: 56405-41-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56405-41-5
Multi CAS
Yes
Molecular Formula
C10H12NNAO4S
Molecular Weight
265.260000
Exact Mass
265.038473
InChI
InChI=1S/C10H13NO4S.Na/c1-11(6-7-16(13,14)15)10-4-2-9(8-12)3-5-10;/h2-5,8H,6-7H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey
CDZKGUNWVIAGNM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
59.66
TPSA
77.51

LogP / Solubility

WLOGP
-2.52
MLOGP
-2.21
XLogP3
-2.52
Consensus LogP
-2.42
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
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)
-6.12

Drug-likeness / Medicinal Chemistry

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

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