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Exifone - ≥98.0%(HPLC), high purity , CAS No.52479-85-3

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Exifone - ≥98.0%(HPLC), high purity , CAS No.52479-85-3

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 52479-85-3
Molecular Weight: 278.22
Beilstein Registry Number: 8(3)4364
MDL number: MFCD00082966
PubChem CID: 40399
PubChem SID: 504753599

In stock

Item Number

E136362

Grouped product items
SKU	Size	Availability	Price
E136362-1g	1g	3	$67.90
E136362-5g	5g	3	$304.90
E136362-25g	25g	2	$1,368.90

Basic Description

Synonyms	EXIFONE \| 52479-85-3 \| 2,3,3',4,4',5'-Hexahydroxybenzophenone \| Adlone \| (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone \| 4-Galloylpyrogallol \| Exifone [INN] \| (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone \| NSC 680919 \| NSC-680919 \| NSC680919 \| Methano
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzophenones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzophenones
Intermediate Tree Nodes	Not available
Direct Parent	Benzophenones
Alternative Parents	Diphenylmethanes Aryl-phenylketones 5-unsubstituted pyrrogallols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzenetriol - Pyrogallol derivative - 5-unsubstituted pyrrogallol - Aryl ketone - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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

Product Properties

ALogP	1.7

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

HT-22 (3261 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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	504753599
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753599
IUPAC Name	(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
INCHI	InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
InChIKey	XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
Isomeric SMILES	C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
RTECS	PC4995000
Molecular Weight	278.22
Beilstein	8(3)4364
Reaxy-Rn	3401917
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3401917&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
A2303184	Certificate of Analysis	Oct 24, 2024	E136362
A2303185	Certificate of Analysis	Oct 24, 2024	E136362
A2303212	Certificate of Analysis	Oct 24, 2024	E136362

Chemical and Physical Properties

Solubility	DMSO:Soluble
Sensitivity	Moisture sensitive
Melt Point(°C)	280°C(lit.)
Molecular Weight	278.210 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	278.043 Da
Monoisotopic Mass	278.043 Da
Topological Polar Surface Area	138.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	349.000
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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