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Indole-5-boronic acid - ≥95.0%, high purity , CAS No.144104-59-6

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Indole-5-boronic acid - ≥95.0%, high purity , CAS No.144104-59-6

COA

Grade & Purity:

≥95%

Cas Number: 144104-59-6
Molecular Weight: 160.97
MDL number: MFCD01319013
PubChem CID: 2734361
PubChem SID: 504761120

In stock

Item Number

I129077

Grouped product items
SKU	Size	Availability	Price
I129077-100mg	100mg	2	$12.90
I129077-250mg	250mg	2	$23.90
I129077-1g	1g	3	$71.90
I129077-5g	5g	2	$321.90
I129077-10g	10g	2	$579.90
I129077-25g	25g	2	$1,303.90

Basic Description

Synonyms	5-Indolylboronic acid \| 144104-59-6 \| Indole-5-boronic acid \| (1H-indol-5-yl)boronic acid \| 1H-indol-5-ylboronic Acid \| 1h-indole-5-boronic acid \| 5-indolboronic acid \| MFCD01319013 \| 5-1H-indole boronic acid \| BORONIC ACID, B-1H-INDOL-5-YL- \| CHEMBL342460 \| 1~{H}-indol-5-ylbo
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Benzenoids Pyrroles Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Benzenoid - Pyrrole - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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	504761120
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761120
IUPAC Name	1H-indol-5-ylboronic acid
INCHI	InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H
InChIKey	VHADYSUJZAPXOW-UHFFFAOYSA-N
Smiles	B(C1=CC2=C(C=C1)NC=C2)(O)O
Isomeric SMILES	B(C1=CC2=C(C=C1)NC=C2)(O)O
WGK Germany	3
Molecular Weight	160.97
Reaxy-Rn	5477681
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5477681&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.

7 results found

Lot Number	Certificate Type	Date	Item
G2021166	Certificate of Analysis	May 08, 2024	I129077
G2021164	Certificate of Analysis	May 08, 2024	I129077
I1927043	Certificate of Analysis	Jul 14, 2023	I129077
G2213597	Certificate of Analysis	Jul 16, 2022	I129077
H2203580	Certificate of Analysis	Jun 15, 2022	I129077
H2203328	Certificate of Analysis	Jun 15, 2022	I129077
H2203327	Certificate of Analysis	Jun 15, 2022	I129077

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	170-175 °C
Molecular Weight	160.970 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	161.065 Da
Monoisotopic Mass	161.065 Da
Topological Polar Surface Area	56.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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