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2-Iodohippuric Acid - >99.0%(T), high purity , CAS No.147-58-0

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2-Iodohippuric Acid - >99.0%(T), high purity , CAS No.147-58-0

COA

Grade & Purity:

≥99%(T)

Cas Number: 147-58-0
Molecular Weight: 305.07
Beilstein Registry Number: 1877940
MDL number: MFCD00002694
PubChem CID: 8614
PubChem SID: 488180843

In stock

Item Number

I157449

Grouped product items
SKU	Size	Availability	Price
I157449-1g	1g	3	$15.90
I157449-5g	5g	5	$57.90
I157449-25g	25g	2	$188.90

View related series

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

Basic Description

Synonyms	HY-W141890 \| 2-[(2-iodophenyl)formamido]acetic acid \| O-Iodohippuric acid \| 2'-Iodohippuric Acid \| 2-Iodohippuric acid \| CHEBI:140408 \| Tox21_111826_1 \| D91155 \| J-008368 \| MFCD00002694 \| IODOHIPPURATE [VANDF] \| FT-0762272 \| ortho-iodobenzoylglycine \| SMR
Specifications & Purity	≥99%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids 2-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organoiodide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
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

Associated Targets(Human)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488180843
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180843
IUPAC Name	2-[(2-iodobenzoyl)amino]acetic acid
INCHI	InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey	CORFWQGVBFFZHF-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
WGK Germany	3
Molecular Weight	305.07
Beilstein	1877940
Reaxy-Rn	1877943
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877943&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.

3 results found

Lot Number	Certificate Type	Date	Item
C2311316	Certificate of Analysis	Dec 05, 2024	I157449
C2311214	Certificate of Analysis	Dec 05, 2024	I157449
C2311206	Certificate of Analysis	Dec 05, 2024	I157449

Chemical and Physical Properties

Melt Point(°C)	173 °C
Molecular Weight	305.070 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	304.955 Da
Monoisotopic Mass	304.955 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232.000
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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