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CAS 24429-49-0 Sodium 1-Amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate molecular structure lightbox
CAS RN: 24429-49-0

Sodium 1-Amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

  • Product code: SSC-118879
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 10g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24429-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 4 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry

24429-49-0 / sodium 1-amino-9,10-dioxoanthracene-2-sulfonate

Standard CAS: 24429-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24429-49-0
Multi CAS
No
Molecular Formula
C14H8NNaO5S
Molecular Weight
325.270000
Exact Mass
325.002088
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])N.[Na+]
InChI
InChI=1S/C14H9NO5S.Na/c15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16;/h1-6H,15H2,(H,18,19,20);/q;+1/p-1
InChIKey
KZIABSJKBGTEGT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.12
TPSA
117.36

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.79
XLogP3
-2.05
Consensus LogP
-1.96
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-6.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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