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Screening compounds

WS 009A

Also known as WS009 A, L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-, (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid

CAS 136286-49-2Formula C24H25NO10SMolar mass 519.53 g/mol
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WS 009A chemical structure, C24H25NO10S, CAS 136286-49-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
136286-49-2
Formula
C24H25NO10S
Molar mass
519.53 g/mol
HS code
293090
Category
Screening compounds

What is WS 009A?

Plain description, key identifiers and synonyms

WS009 A is a member of hydroxyanthraquinones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
CAS number
136286-49-2 CAS number cross-checked
Molecular formula
C24H25NO10S
InChIKey
QJBRZZUZDREZIP-KCBNJNFFSA-N
InChI
InChI=1S/C24H25NO10S/c1-11-8-16(28)23(34)21(33,9-11)6-7-22(36-10-14(20(31)32)25-12(2)26)19(30)17-13(4-3-5-15(17)27)18(29)24(22,23)35/h3-5,8,14,27,33-35H,6-7,9-10H2,1-2H3,(H,25,26)(H,31,32)/t14-,21?,22?,23?,24?/m0/s1
Canonical SMILES
CC(=O)NC(CSC12CCC3(O)CC(C)=CC(=O)C3(O)C1(O)C(=O)c1cccc(O)c1C2=O)C(=O)O
Isomeric SMILES
CC1=CC(=O)C2(C(C1)(CCC3(C2(C(=O)C4=C(C3=O)C(=CC=C4)O)O)SC[C@@H](C(=O)O)NC(=O)C)O)O

Synonyms

  • WS009 A
  • L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-
  • (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
  • FR 901366
  • (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulanyl]-2-acetamidopropanoic acid
  • N-(1-Hydroxyethylidene)-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydrotetraphen-6a(1H)-yl)-L-cysteine
  • N-(1-Hydroxyethylidene)-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydrotetraphen-6a(1H)-yl)cysteine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
519.53 g/molcalc.
Exact mass
519.1199 Dacalc.
LogP (octanol/water)
-0.26calc.
Topological polar surface area
198.5 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2ccccc2C(=O)C2C1CCC1CC=CC(=O)C12

O=C1c2ccccc2C(=O)C2C1CCC1CC=CC(=O)C12

4 rings, 21 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

WS 009A suppliers

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WS 009A price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code WS 009A is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for WS 009A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about WS 009A, based on the data on this page

What is WS 009A?

WS009 A is a member of hydroxyanthraquinones.

What is the CAS number of WS 009A?

The CAS registry number of WS 009A is 136286-49-2.

What is the molecular formula and weight of WS 009A?

The molecular formula of WS 009A is C24H25NO10S and its molar mass is 519.53 g/mol.

What is WS 009A used for?

Known uses and roles of WS 009A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is WS 009A hazardous?

No GHS hazard classification for WS 009A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of WS 009A?

WS 009A is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy WS 009A?

Post a free request on CompoundList and suppliers of WS 009A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of WS 009A?

Suppliers quote WS 009A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle WS 009A

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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