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CAS 2491-71-6 Sodium 4-Aminoazobenzene-4′-sulfonate molecular structure lightbox
CAS RN: 2491-71-6

Sodium 4-Aminoazobenzene-4′-sulfonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-120202
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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: 25g
  • 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 2491-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

2491-71-6 / sodium 4-[(4-aminophenyl)diazenyl]benzenesulfonate

Standard CAS: 2491-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2491-71-6
Multi CAS
No
Molecular Formula
C12H10N3NaO3S
Molecular Weight
299.280000
Exact Mass
299.034057
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C12H11N3O3S.Na/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1
InChIKey
FIXVWFINKCQNFG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
69.44
TPSA
107.94

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.35
XLogP3
-0.41
Consensus LogP
-0.39
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-4.84

Drug-likeness / Medicinal Chemistry

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

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