(E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one , CAS No.152809-69-3

CAS: 152809-69-3 Cat. No.: E668945 Peso molecular: 288.72
Disponible para pedir
Synonyms
RIK7LYIOUJ | UNII-RIK7LYIOUJ | 1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | 2-Propen-1-one, 1
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
E668945-1mg
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
E668945-5mg
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%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
RIK7LYIOUJ | UNII-RIK7LYIOUJ | 1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | 2-Propen-1-one, 1
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP4
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)O
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
InChIKeyKCTNGNPVURILGU-KRXBUXKQSA-N
INCHI1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
Isómeros SMILES COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)O
Peso molecular 288.72
Reaxy-Rn 3140279
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3140279&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
SuperclassPhenylpropanoids and polyketides
ClaseLinear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct ParentRetrochalcones
Alternative Parents Cinnamylphenols  Hydroxycinnamic acids and derivatives  Methoxyphenols  Styrenes  Phenoxy compounds  Methoxybenzenes  Anisoles  Aryl ketones  Benzoyl derivatives  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Chlorobenzenes  Aryl chlorides  Acryloyl compounds  Enones  Organochlorides  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Phenol ether - Styrene - Anisole - Benzoyl - Methoxybenzene - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CXCR4 Tclin C-X-C chemokine receptor type 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CXCL12 Tchem Stromal cell-derived factor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR4 Tclin C-X-C chemokine receptor type 4 (3338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase (1258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kluyveromyces lactis (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ogataea angusta (372 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serum (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lung (9 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 molecular288.720 g/mol
XLogP34.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass288.055 Da
Monoisotopic Mass288.055 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity348.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.