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2-(5-Isoxazolyl)phenol - 96%, high purity , CAS No.61348-47-8

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2-(5-Isoxazolyl)phenol - 96%, high purity , CAS No.61348-47-8

COA

Grade & Purity:

≥96%

Cas Number: 61348-47-8
Molecular Weight: 161.2
PubChem CID: 578506
PubChem SID: 504759340

In stock

Item Number

I185569

Grouped product items
SKU	Size	Availability	Price
I185569-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
I185569-1g	1g	3	$20.90
I185569-5g	5g	3	$57.90
I185569-10g	10g	3	$102.90
I185569-25g	25g	3	$231.90
I185569-100g	100g	2	$833.90

Basic Description

Synonyms	DTXSID60425715 \| MFCD00218653 \| SCHEMBL2415309 \| 2-(5-Isoxazolyl)phenol, 98% \| 2-(1,2-Oxazol-5-Yl)Phenol \| 2-(5-Isoxazolyl)phenol # \| Phenol, 2-(5-isoxazolyl)- \| 5-(2-Hydroxyphenyl)isoxazole \| 9C-067 \| SB37932 \| 2-isoxazol-5-ylphenol \| 2-ISOXAZOL-5-YL-PHE
Specifications & Purity	≥96%
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 Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Azole - Isoxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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)

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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	504759340
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759340
IUPAC Name	2-(1,2-oxazol-5-yl)phenol
INCHI	InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H
InChIKey	DBDXTIAEVFSDNN-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=CC=NO2)O
Isomeric SMILES	C1=CC=C(C(=C1)C2=CC=NO2)O
Molecular Weight	161.2
Reaxy-Rn	129957
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129957&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
B2212155	Certificate of Analysis	Nov 07, 2024	I185569
B2212156	Certificate of Analysis	Nov 07, 2024	I185569
B2212154	Certificate of Analysis	Nov 07, 2024	I185569
B2212145	Certificate of Analysis	Nov 07, 2024	I185569
B2212140	Certificate of Analysis	Nov 07, 2024	I185569
B2212146	Certificate of Analysis	Nov 07, 2024	I185569

Chemical and Physical Properties

Molecular Weight	161.160 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	161.048 Da
Monoisotopic Mass	161.048 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
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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