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isopropyl 2-(tert-butoxycarbonylamino)-5-oxo-4-phenyl-hexanoate - 97%, high purity , CAS No.1456803-33-0

COA

Grade & Purity:

≥97%

Cas Number: 1456803-33-0
Molecular Weight: 363.45
MDL number: MFCD30489403
PubChem CID: 89434594

In stock

Item Number

I629319

Grouped product items
SKU	Size	Availability	Price
I629319-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
I629319-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90
I629319-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$799.90

Basic Description

Synonyms	1456803-33-0 \| Isopropyl 2-((tert-butoxycarbonyl)amino)-5-oxo-4-phenylhexanoate \| isopropyl 2-(tert-butoxycarbonylamino)-5-oxo-4-phenyl-hexanoate \| Isopropyl 2-(tert-butoxycarbonyl)-5-oxo-4-phenylhexanoate \| SCHEMBL14771726 \| MFCD30489403 \| D96884 \| Isopr
Specifications & Purity	≥97%
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 Alpha amino acid esters

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	Alpha amino acid esters
Alternative Parents	Phenylpropanes Fatty acid esters Carbamate esters Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid ester - Phenylpropane - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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	propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-phenylhexanoate
INCHI	InChI=1S/C20H29NO5/c1-13(2)25-18(23)17(21-19(24)26-20(4,5)6)12-16(14(3)22)15-10-8-7-9-11-15/h7-11,13,16-17H,12H2,1-6H3,(H,21,24)
InChIKey	VNCFMYZTSNRVAW-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C(CC(C1=CC=CC=C1)C(=O)C)NC(=O)OC(C)(C)C
Isomeric SMILES	CC(C)OC(=O)C(CC(C1=CC=CC=C1)C(=O)C)NC(=O)OC(C)(C)C
PubChem CID	89434594
Molecular Weight	363.45

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	363.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	363.205 Da
Monoisotopic Mass	363.205 Da
Topological Polar Surface Area	81.700 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	489.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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