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Boc-Ile-ONp - 97%, high purity , CAS No.16948-38-2

COA

Grade & Purity:

≥97%

Cas Number: 16948-38-2
Molecular Weight: 352.38
Beilstein Registry Number: 1894880
MDL number: MFCD00038322
PubChem CID: 7010530

In stock

Item Number

B167834

Grouped product items
SKU	Size	Availability	Price	Qty
B167834-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
B167834-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$383.90

Discover Boc-Ile-ONp by Aladdin Scientific in 97% for only $85.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	J-010547 \| (2S,3S)-4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-methylpentanoate \| N-alpha-t-Butyloxycarbonyl-L-isoleucine p-nitrophenyl ester (Boc-L-Ile-ONp) \| AKOS016003349 \| Boc-Ile-ONp, >=98.0% (TLC) \| MFCD00038322 \| Boc-Ile-ONp \| (4-nitrophenyl) (2S,
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 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 Isoleucine 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	Isoleucine and derivatives
Alternative Parents	Alpha amino acid esters Phenol esters Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Isoleucine or derivatives - Alpha-amino acid ester - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine 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	(4-nitrophenyl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
INCHI	InChI=1S/C17H24N2O6/c1-6-11(2)14(18-16(21)25-17(3,4)5)15(20)24-13-9-7-12(8-10-13)19(22)23/h7-11,14H,6H2,1-5H3,(H,18,21)/t11-,14-/m0/s1
InChIKey	RFSVHANJROIWPM-FZMZJTMJSA-N
Smiles	CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
WGK Germany	3
Molecular Weight	352.38
Beilstein	1894880
Reaxy-Rn	1894884
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1894884&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	352.400 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	352.163 Da
Monoisotopic Mass	352.163 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	475.000
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	1

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