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2-acetonyl-7-hydroxy-5-methyl-chromen-4-one - 97%, high purity , CAS No.40738-40-7

COA

Grade & Purity:

≥97%

Cas Number: 40738-40-7
Molecular Weight: 232.23
MDL number: MFCD00869748
PubChem CID: 5317700

In stock

Item Number

A633830

Grouped product items
SKU	Size	Availability	Price
A633830-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
A633830-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$269.90
A633830-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$799.90
A633830-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,401.90

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Organic heterocyclic compounds (29)

Basic Description

Synonyms	2-(2-Oxopropyl)-7-hydroxy-5-methyl-4H-1-benzopyran-4-one \| 2-acetonyl-7-hydroxy-5-methylchromone \| UNII-5O7KO4M2YY \| Aloesone \| DTXSID20193721 \| 2-actonyl-7-hydroxy-5-methylchromone \| 5O7KO4M2YY \| PS-18466 \| Q27126933 \| F78279 \| 2-Acetonyl-7-hydroxy-5-met
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Aloesone is a phenolic compound. Aloesone can inhibit the production of ROS, the release of NO, M1 polarization, and apoptosis in RAW264.7 cells stimulated by LPS . Aloesone has anti-inflammatory and antioxidant activities.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Ketone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors	a polyketide
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

Names and Identifiers

IUPAC Name	7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one
INCHI	InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3
InChIKey	JHELBXAAAYUKCT-UHFFFAOYSA-N
Smiles	CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O
Isomeric SMILES	CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O
Alternate CAS	40738-40-7
PubChem CID	5317700
MeSH Entry Terms	aloesone
Molecular Weight	232.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.230 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	232.074 Da
Monoisotopic Mass	232.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	372.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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