(2,5-Dihydroxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone , CAS No.312513-29-4

CAS: 312513-29-4 Cat. No.: D668394 Peso molecular: 270.24
Disponible para pedir
Synonyms
(2,5-dihydroxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone | Oprea1_176763 | DTXSID501202113 | HMS1618E01 | BDBM50425971 | STK662503 | AKOS003827106 | 312513-29-4 | EU-0017163 | SR-01000115076 | SR-01000115076-1 | (2,5-Dihydroxyphenyl)(5-hydroxy-3-benzof
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
D668394-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
D668394-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
(2, 5-dihydroxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone | Oprea1_176763 | DTXSID501202113 | HMS1618E01 | BDBM50425971 | STK662503 | AKOS003827106 | 312513-29-4 | EU-0017163 | SR-01000115076 | SR-01000115076-1 | (2, 5-Dihydroxyphenyl)(5-hydroxy-3-benzof
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3.2
Nombres e identificadores
Sonrisas canónicasC1=CC(=C(C=C1O)C(=O)C2=COC3=C2C=C(C=C3)O)O
IUPAC Name(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
InChIKeyUEKVXBPOFPTXNZ-UHFFFAOYSA-N
INCHI1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
Isómeros SMILES C1=CC(=C(C=C1O)C(=O)C2=COC3=C2C=C(C=C3)O)O
Peso molecular 270.24
Reaxy-Rn 23376539
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23376539&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAryl-phenylketones
Alternative Parents Benzofurans  Hydroquinones  Benzoyl derivatives  3-aroylfurans  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aryl-phenylketone - Benzofuran - Benzoyl - Hydroquinone - 3-aroylfuran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Vinylogous acid - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SIRT1 Tchem NAD-dependent protein deacetylase sirtuin-1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular270.240 g/mol
XLogP33.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.053 Da
Monoisotopic Mass270.053 Da
Topological Polar Surface Area90.900 Ų
Heavy Atom Count20
Formal Charge0
Complexity371.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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