Research chemical

2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy-

CAS Number: 10172-75-5

Product details

Identity & specification

Molecular formula: C26H18O7
Molecular weight: 442.4 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

54676523

Exact Mass

442.105253

InChIKey

CMEFNVYVKZNNGL-UHFFFAOYSA-N

IUPAC Name

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one

SMILES String

COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1

Physical Properties

No physical property values available.

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XLogP

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

Computed Structure Descriptors

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Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

110.11 Å²

Computed LogP

4.5

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

other structure rule

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- (CAS 10172-75-5) is an English MolGraph catalog reference, molecular formula C26H18O7 and molecular weight 442. 40 g/mol.

Sourcing context

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

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Catalysis and Ligand Research Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

NAD(P)H dehydrogenase [quinone] 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.66

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.

Synonyms & references

Names & Synonyms

4-HYDROXY-3-[(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)(4-METHOXYPHENYL)METHYL]-2H-CHROMEN-2-ONE3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy-2H-chromen-2-one)3,3'-[(4-methoxyphenyl)methylene]bis(4-hydroxy-2H-chromen-2-one)2H-1-Benzopyran-2-one, 3,3'-[(4-methoxyphenyl)methylene]bis[4-hydroxy-4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-methoxyphenyl)methyl)-2H-chromen-2-one

Show all synonyms

3,3'-[(4-methoxyphenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one)3,3'-(4-methoxybenzylidene)-bis-(4-hydroxycoumarin)

External Identifiers

PUBCHEM CID: 54676523

Literature & Patent References

DOI 10.1016/j.bmc.2005.09.0483D-QSAR CoMFA studies on bis-coumarine analogues as urease inhibitors: a strategic design in anti-urease agents.PMID 182807423D-QSAR CoMFA studies on bis-coumarine analogues as urease inhibitors: a strategic design in anti-urease agents.DOI 10.1021/jm070472pCoumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.PMID 17999461Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.

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

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What happens after RFQ

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

Text Reference Cues

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

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for 2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- (CAS 10172-75-5)?

2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- is identified by CAS 10172-75-5, with molecular formula C26H18O7, molecular weight 442.4, InChIKey CMEFNVYVKZNNGL-UHFFFAOYSA-N.

Does CAS 10172-75-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with NAD(P)H dehydrogenase [quinone] 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 10172-75-5?

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

Can I request supplier SDS for 2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy-?

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

Is CAS 10172-75-5 available for quotation?

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

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