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CAS 153277-35-1 Sodium Anthraquinone-2-sulfonate Monohydrate molecular structure lightbox
CAS RN: 153277-35-1

Sodium Anthraquinone-2-sulfonate Monohydrate

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 100g Out of stock Inquiry
Batchno.20250714 25g Out of stock Inquiry
Batchno.20250319 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-062791
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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 153277-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

153277-35-1 / sodium;9,10-dioxoanthracene-2-sulfonate;hydrate

Standard CAS: 153277-35-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153277-35-1
Multi CAS
No
Molecular Formula
C14H9NaO6S
Molecular Weight
328.270000
Exact Mass
328.001753
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].O.[Na+]
InChI
InChI=1S/C14H8O5S.Na.H2O/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;;/h1-7H,(H,17,18,19);;1H2/q;+1;/p-1
InChIKey
KHILLYASAGTPOI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.33
TPSA
122.84

LogP / Solubility

WLOGP
-2.45
MLOGP
-2.14
XLogP3
-2.45
Consensus LogP
-2.35
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
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)
-6.47

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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