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Home/Compounds/CAS 529-84-0
Formula C10H8O4MW 192.17Research-use catalog entryCOA/SDS by request

4-Methylesculetin

CAS Number: 529-84-0

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Loading RDKit molecule structure...
InChIKey: KVOJTUXGYQVLAJ-UHFFFAOYSA-NC10H8O4 | MW 192.17

Chemical Absolute Identifiers

CAS Number

529-84-0

PubChem CID

5319502

Molecular Formula

C10H8O4

Molecular Weight

192.17 g/mol

Exact Mass

192.042259

InChIKey

KVOJTUXGYQVLAJ-UHFFFAOYSA-N

IUPAC Name

6,7-dihydroxy-4-methylchromen-2-one

SMILES String

Cc1cc(=O)oc2cc(O)c(O)cc12

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

4-Methylesculetin (CAS 529-84-0) is listed in the Advanced Chemicals portfolio, with molecular formula C10H8O4 and molecular weight 192. 17 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

Heterocyclic Building BlocksSynthetic 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: Cytochrome P450 3A4 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

4-Methylesculetin

Names & Synonyms

6,7-DIHYDROXY-4-METHYLCOUMARIN4-Methylaesculetin4-Methylesculetol4-Methyl-6,7-dihydroxycoumarin6,7-Dihydroxy-4-methyl-2H-benzopyran-2-one
Show all synonyms
6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-DHMC-6,76,7-Dihydroxy-4-methyl-2H-chromen-2-oneCoumarin, 6,7-dihydroxy-4-methyl-6,7-Dihydroxy-4-methyl-chromen-2-oneMETHYLESCULETIN, 4-Spectrum_001029SpecPlus_000495Spectrum2_000617Spectrum3_000592Spectrum4_001864Spectrum5_000428Oprea1_739367
External Identifiers
EC NUMBER: 208-470-0DSSTOX SUBSTANCE ID: DTXSID6060187CHEMBL ID: CHEMBL313244CHEBI ID: CHEBI:145256UNII: 132H8N0A91METABOLOMICS WORKBENCH ID: 74231WIKIDATA ID: Q27251461
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR SpectraRaman SpectraUV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.bmc.2020.115851Synthesis and structure-activity relationship of coumarins as potent Mcl-1 inhibitors for cancer treatment.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityPMID 33218896Synthesis and structure-activity relationship of coumarins as potent Mcl-1 inhibitors for cancer treatment.DOI 10.1016/j.ejmech.2015.07.010Coumarins as anticancer agents: a review on synthetic strategies, mechanism of action and SAR studies.PMID 26188907Coumarins as anticancer agents: a review on synthetic strategies, mechanism of action and SAR studies.DOI 10.1124/mol.112.084152Structure-based identification of OATP1B1/3 inhibitors.PMID 23571415Structure-based identification of OATP1B1/3 inhibitors.DOI 10.1016/j.bmc.2012.07.043Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.

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

6-Hydroxy-4-methyl-2-benzopyroneCAS 2373-31-1
7-Mercapto-4-methylcoumarinCAS 137215-27-1
Coumarin 2CAS 26078-25-1
6-tert-Butyl-4-methylcoumarinCAS 17874-32-7
7-Methoxy-4-methylcoumarinCAS 2555-28-4

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 2373-31-16-Hydroxy-4-methyl-2-benzopyroneCAS 137215-27-17-Mercapto-4-methylcoumarinCAS 26078-25-1Coumarin 2CAS 17874-32-76-tert-Butyl-4-methylcoumarinCAS 2555-28-47-Methoxy-4-methylcoumarinCAS 141-97-9Ethyl AcetoacetateCAS 486-35-1DaphnetinCAS 531-59-9MethylumbelliferoneCAS 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 acid

RFQ questions for CAS 529-84-0

What are the key identifiers for 4-Methylesculetin (CAS 529-84-0)?

4-Methylesculetin is identified by CAS 529-84-0, with molecular formula C10H8O4, molecular weight 192.17, InChIKey KVOJTUXGYQVLAJ-UHFFFAOYSA-N.

Does CAS 529-84-0 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 3A4. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 529-84-0?

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

Can I request supplier SDS for 4-Methylesculetin?

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

Is CAS 529-84-0 available for quotation?

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

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