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6-Methyl-4-phenyl-2-chromanone - >98.0%, high purity , CAS No.40546-94-9

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6-Methyl-4-phenyl-2-chromanone - >98.0%, high purity , CAS No.40546-94-9

COA

Grade & Purity:

≥98%

Cas Number: 40546-94-9
Molecular Weight: 238.29
MDL number: MFCD03695019
PubChem CID: 3791643
PubChem SID: 488194569

In stock

Item Number

M158428

Grouped product items
SKU	Size	Availability	Price
M158428-250mg	250mg	3	$9.90
M158428-1g	1g	3	$11.90
M158428-5g	5g	3	$44.90
M158428-25g	25g	1	$128.90

View related series

lactone (49) Non heterocyclic block (8163)

Basic Description

Synonyms	SY036927 \| 6-Methyl-4-phenyl-2-chromanone \| SUHIZPDCJOQZLN-UHFFFAOYSA-N \| SCHEMBL820663 \| M2093 \| rac-6-Methyl-4-phenylchroman-2-one \| 6-methyl-4-phenyl-chroman-one \| A6781 \| 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-4-phenyl- \| FT-0639650 \| FT-0672138
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Neoflavonoids
    - Subclass Neoflavans

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Neoflavonoids
Subclass	Neoflavans
Intermediate Tree Nodes	Not available
Direct Parent	Neoflavans
Alternative Parents	3,4-dihydrocoumarins 1-benzopyrans Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Neoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488194569
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194569
IUPAC Name	6-methyl-4-phenyl-3,4-dihydrochromen-2-one
INCHI	InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChIKey	SUHIZPDCJOQZLN-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3
Isomeric SMILES	CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3
Molecular Weight	238.29
Reaxy-Rn	191428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=191428&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
J1928200	Certificate of Analysis	Aug 04, 2023	M158428

Chemical and Physical Properties

Boil Point(°C)	230°C/16mmHg
Melt Point(°C)	82 °C
Molecular Weight	238.280 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	238.099 Da
Monoisotopic Mass	238.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	306.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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