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SMND-309 - ≥98%, high purity , CAS No.1065559-56-9

COA

Grade & Purity:

≥98%

Cas Number: 1065559-56-9
Molecular Weight: 358.3
PubChem CID: 45138954

In stock

Item Number

S126403

Grouped product items
SKU	Size	Availability	Price	Qty
S126403-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$234.90
S126403-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90

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Drug Metabolite (241) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

Synonyms	SMND-309 \| (E)-2-(6-((E)-2-carboxyvinyl)-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)acrylic acid \| AKOS030526235 \| (E)-2-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid \| MS-25622 \| DTXSID50669469 \| CS-0559 \| 10655
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.
Product Description	SMND-309 is a metabolite of salvianolic acid B, and exhibits neuroprotective effects in cultured neurons and in permanent middle cerebral artery occlusion rats.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Stilbenes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Stilbenes
Alternative Parents	Hydroxycinnamic acids Coumaric acids and derivatives Cinnamic acids Styrenes Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Stilbene - Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid - Hydroxycinnamic acid or derivatives - Catechol - Styrene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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

Names and Identifiers

IUPAC Name	(E)-2-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
INCHI	InChI=1S/C18H14O8/c19-12-4-1-9(8-14(12)21)7-11(18(25)26)16-10(3-6-15(22)23)2-5-13(20)17(16)24/h1-8,19-21,24H,(H,22,23)(H,25,26)/b6-3+,11-7+
InChIKey	OAHRXWZJURTMHG-ACIWFXKJSA-N
Smiles	C1=CC(=C(C=C1C=C(C2=C(C=CC(=C2O)O)C=CC(=O)O)C(=O)O)O)O
Isomeric SMILES	C1=CC(=C(C=C1/C=C(\C2=C(C=CC(=C2O)O)/C=C/C(=O)O)/C(=O)O)O)O
PubChem CID	45138954
Molecular Weight	358.3

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO
Molecular Weight	358.300 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	358.069 Da
Monoisotopic Mass	358.069 Da
Topological Polar Surface Area	156.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	584.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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