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Boc-Ile-OH - 99%, high purity , CAS No.13139-16-7

COA

Grade & Purity:

≥99%

Cas Number: 13139-16-7
Molecular Weight: 231.06
Beilstein Registry Number: 1711700
EC Number: 236-074-8
MDL number: MFCD00038324
PubChem CID: 2724762
PubChem SID: 504760918

In stock

Item Number

B102996

Grouped product items
SKU	Size	Availability	Price
B102996-1g	1g	1	$9.90
B102996-5g	5g	2	$27.90
B102996-25g	25g	2	$71.90
B102996-100g	100g	2	$256.90
B102996-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,154.90

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Chemical Biology (1255) N-protected amino acids (344)

Basic Description

Synonyms	(2S,3S)-2-(tert-butoxycarbonyl-amino)-3-methyl-valeric acid \| Boc-Ile \| t-butyloxycarbonylisoleucine \| (2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoic acid \| Boc-DL-Ile-OH \| AM20080225 \| L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]- \| (2S,3S)-2-{
Specifications & Purity	≥99%
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	Methyl-branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isoleucine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760918
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760918
IUPAC Name	(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
INCHI	InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKey	QJCNLJWUIOIMMF-YUMQZZPRSA-N
Smiles	CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
WGK Germany	3
Molecular Weight	231.06
Beilstein	1711700
Reaxy-Rn	1108050
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1108050&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
H2130321	Certificate of Analysis	Jun 11, 2025	B102996
D2001156	Certificate of Analysis	Jan 02, 2024	B102996
K2412040	Certificate of Analysis	Jun 30, 2022	B102996
J2213102	Certificate of Analysis	Jun 30, 2022	B102996
J2213103	Certificate of Analysis	Jun 30, 2022	B102996
J2213200	Certificate of Analysis	Jun 30, 2022	B102996

Chemical and Physical Properties

Solubility	Soluble in methanol. Insoluble in water.
Specific Rotation[α]	2.7 ° (C=2, AcOH)
Melt Point(°C)	60-69°C
Molecular Weight	231.290 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	231.147 Da
Monoisotopic Mass	231.147 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	257.000
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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