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4，4'-Sulfonylbis(methoxybenzene) - ≥95%, high purity , CAS No.3112-80-9

COA

Grade & Purity:

≥95%

Cas Number: 3112-80-9
Molecular Weight: 278.33
PubChem CID: 238615

In stock

Item Number

S696692

Grouped product items
SKU	Size	Availability	Price
S696692-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
S696692-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90
S696692-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$614.90
S696692-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,508.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Sulfonyl - Sulfone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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)

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

Associated Targets(non-human)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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

IUPAC Name	1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene
INCHI	InChI=1S/C14H14O4S/c1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
InChIKey	WXPWTKPQXYLOJH-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC
Isomeric SMILES	COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC
PubChem CID	238615
Molecular Weight	278.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	278.330 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	278.061 Da
Monoisotopic Mass	278.061 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327.000
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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