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Ethyl (4-(2-(3-ethyl-4-methyl-2-oxo-2，5-dihydro-1H-pyrrole-1-carboxamido)ethyl)phenyl)sulfonylcarbamate - ≥97%, high purity , CAS No.318515-70-7

COA

Grade & Purity:

≥97%

Cas Number: 318515-70-7
Molecular Weight: 423.492
MDL number: MFCD02955394
PubChem CID: 25040579

In stock

Item Number

E768408

Grouped product items
SKU	Size	Availability	Price	Qty
E768408-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
E768408-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
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 Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Pyrroline carboxylic acids and derivatives N-acyl ureas Organosulfonic acids and derivatives Dicarboximides Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Pyrroline carboxylic acid or derivatives - N-acyl urea - Ureide - Dicarboximide - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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	ethyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
INCHI	InChI=1S/C19H25N3O6S/c1-4-16-13(3)12-22(17(16)23)18(24)20-11-10-14-6-8-15(9-7-14)29(26,27)21-19(25)28-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKey	QPESVQUXCCFSRB-UHFFFAOYSA-N
Smiles	CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OCC)C
Isomeric SMILES	CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OCC)C
PubChem CID	25040579
Molecular Weight	423.492

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	423.500 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	423.146 Da
Monoisotopic Mass	423.146 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	763.000
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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