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Home/Compounds/CAS 516-15-4
Formula C21H28O3MW 328.4Research-use catalog entryCOA/SDS by request

Pregn-4-ene-3,11,20-trione

CAS Number: 516-15-4

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Loading RDKit molecule structure...
InChIKey: WKAVAGKRWFGIEA-DADBAOPHSA-NC21H28O3 | MW 328.4

Chemical Absolute Identifiers

CAS Number

516-15-4

PubChem CID

94166

Molecular Formula

C21H28O3

Molecular Weight

328.4 g/mol

Exact Mass

328.203845

InChIKey

WKAVAGKRWFGIEA-DADBAOPHSA-N

IUPAC Name

(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

SMILES String

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Pregn-4-ene-3,11,20-trione (CAS 516-15-4) is listed in the Advanced Chemicals portfolio, with molecular formula C21H28O3 and molecular weight 328. 40 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Asymmetric SynthesisSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Corticosteroid-binding globulin (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Corticosteroid-binding globulin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.78

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
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PPE

Respiratory protection if needed

First Aid

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Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution with a waste disposal license to handle this substance.
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Fire Fighting

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Accidental Release

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Pregn-4-ene-3,11,20-trione

Names & Synonyms

11-KetoprogesteroneKetogestin11-Oxoprogesterone4-pregnene-3,11,20-trione11-keto-progesterone
Show all synonyms
11-keto-PKetoprogesterone(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,6H)-dioneU 1258(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione4-07-00-02800 (Beilstein Handbook Reference)11-KETOPROGESTERONE [MI]P0771.DELTA.4-PREGNENE-3,11,20-TRIONE(1S,10S,11S,14S,15S,2R)-14-acetyl-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0.0<2 ,7>.0<11,15>]heptadec-6-ene(8S,10R,13S,17S)-17-Acetyl-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione
External Identifiers
EC NUMBER: 208-222-1DSSTOX SUBSTANCE ID: DTXSID101031475CHEMBL ID: CHEMBL284253CHEBI ID: CHEBI:166773UNII: 9Y1Y86O4T5METABOLOMICS WORKBENCH ID: 87118WIKIDATA ID: Q27273369
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR Spectra — Forensic Spectral ResearchFTIR SpectraRaman Spectra — Forensic Spectral ResearchUV-VIS Spectra
Literature & Patent References
DOI 10.1021/jm030364cComparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR.PMID 15139751Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR.DOI 10.1021/jm021077wMapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique.PMID 12672239Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique.DOI 10.1021/jm000941mGRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.PMID 10966742GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.DOI 10.1021/jm9810607Self-organizing molecular field analysis: a tool for structure-activity studies.PMID 10052964Self-organizing molecular field analysis: a tool for structure-activity studies.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

VamoroloneCAS 13209-41-1

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 516-15-4

What are the key identifiers for Pregn-4-ene-3,11,20-trione (CAS 516-15-4)?

Pregn-4-ene-3,11,20-trione is identified by CAS 516-15-4, with molecular formula C21H28O3, molecular weight 328.4, InChIKey WKAVAGKRWFGIEA-DADBAOPHSA-N.

Does CAS 516-15-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Corticosteroid-binding globulin. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 516-15-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Pregn-4-ene-3,11,20-trione?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 516-15-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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