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(S)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine N-acetyl-L-leucine salt - ≥99%,≥99%(ee), high purity , CAS No.608141-43-1

COA

Grade & Purity:

≥99%,≥99%(ee)

Cas Number: 608141-43-1
PubChem CID: 66648136

In stock

Item Number

E770211

Grouped product items
SKU	Size	Availability	Price
E770211-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
E770211-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
E770211-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Basic Description

Specifications & Purity	≥99%,≥99%(ee)
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Leucine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Leucine and derivatives
Alternative Parents	N-acyl-L-alpha-amino acids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Methyl-branched fatty acids Aralkylamines Sulfones Quaternary ammonium salts Acetamides Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic cations
Molecular Framework	Not available
Substituents	Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Branched fatty acid - Methyl-branched fatty acid - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Sulfonyl - Sulfone - Quaternary ammonium salt - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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	(2S)-2-acetamido-4-methylpentanoic acid;(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
INCHI	InChI=1S/C12H19NO4S.C8H15NO3/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15;1-5(2)4-7(8(11)12)9-6(3)10/h5-7,10H,4,8,13H2,1-3H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t10-;7-/m10/s1
InChIKey	KJZXYHPZWRDLAR-JIJBYVMQSA-N
Smiles	CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC.CC(C)CC(C(=O)O)NC(=O)C
Isomeric SMILES	CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N)OC.CC(C)C[C@@H](C(=O)O)NC(=O)C
PubChem CID	66648136

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	446.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	446.209 Da
Monoisotopic Mass	446.209 Da
Topological Polar Surface Area	153.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	516.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	2

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