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CAS 123333-70-0 Sodium Sulfanilate Hydrate [for Biochemical Research] molecular structure lightbox
CAS RN: 123333-70-0

Sodium Sulfanilate Hydrate [for Biochemical Research]

  • Product code: SSC-026984
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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: >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 123333-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

123333-70-0 / sodium;4-aminobenzenesulfonate;hydrate

Standard CAS: 123333-70-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123333-70-0
Multi CAS
No
Molecular Formula
C6H8NNaO4S
Molecular Weight
213.190000
Exact Mass
213.007173
SMILES
C1=CC(=CC=C1N)S(=O)(=O)[O-].O.[Na+]
InChI
InChI=1S/C6H7NO3S.Na.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H,8,9,10);;1H2/q;+1;/p-1
InChIKey
VDGKZGAQOPUDQL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.43
TPSA
114.72

LogP / Solubility

WLOGP
-3.65
MLOGP
-3.21
XLogP3
-3.65
Consensus LogP
-3.5
Log S (ESOL)
0.86
Class (ESOL)
Highly soluble
Log S (Ali)
1.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.86
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)
-6.61

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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