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ML329 - 98%, high purity , CAS No.19992-50-8

COA

Grade & Purity:

≥98%

Cas Number: 19992-50-8
Molecular Weight: 328.34
PubChem CID: 12387471
PubChem SID: 504767088

In stock

Item Number

M412202

Grouped product items
SKU	Size	Availability	Price
M412202-5mg	5mg	2	$141.90
M412202-25mg	25mg	2	$533.90
M412202-100mg	100mg	2	$1,543.90

Basic Description

Synonyms	HY-101464 \| 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide \| ML329 \| ML-329 \| SCHEMBL16296690 \| BS-15787 \| 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide \| 4-((1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzenesulfonamide \| CH
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthoquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthoquinones
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoquinones
Alternative Parents	Aminobenzenesulfonamides Benzenesulfonyl compounds Quinones Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Organosulfonamides Vinylogous amides Aminosulfonyl compounds Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthoquinone - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Quinone - Aryl ketone - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
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

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	504767088
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767088
IUPAC Name	4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide
INCHI	InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H,(H2,17,21,22)
InChIKey	CSYFFQVEQXEIAB-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
Molecular Weight	328.34
Reaxy-Rn	3068336
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3068336&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2222518	Certificate of Analysis	Apr 03, 2025	M412202
F2222515	Certificate of Analysis	Apr 03, 2025	M412202
F2222516	Certificate of Analysis	Apr 03, 2025	M412202

Chemical and Physical Properties

Molecular Weight	328.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	328.052 Da
Monoisotopic Mass	328.052 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	627.000
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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