Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 8-Quinolinol, 5,7-dibromo-2-methyl-, benzoate | AKOS037505629 | AC-36846 | Broxaldina | IJTPLVAAROHGGB-UHFFFAOYSA-N | 5,7-Dibromo-8-benzoyloxyquinaldine | 6308U1DL5F | brobenzoxaldine | EINECS 222-971-1 | 2-methyl-5-bromothiphene | SCHEMBL2109050 | (5,7-d |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Information Broxaldine (Brobenzoxaldine, AL307) is an antiprotozoal drug and can be used in leprosy. |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Haloquinolines
-
Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Haloquinolines |
| Alternative Parents | Benzoic acid esters Benzoyl derivatives Methylpyridines Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Methylpyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom. |
| External Descriptors | Not available |
|
|
|
Product Properties
| ALogP | 5.227 |
|---|---|
| hba_count | 3 |
| Rotatable Bond | 3 |
Associated Targets(non-human)
Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rep
Replicase polyprotein 1ab (378 Activities)
| 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 | 504755161 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755161 |
| IUPAC Name | (5,7-dibromo-2-methylquinolin-8-yl) benzoate |
| INCHI | InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | IJTPLVAAROHGGB-UHFFFAOYSA-N |
| Smiles | CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br |
| Isomeric SMILES | CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br |
| Molecular Weight | 421.08 |
| Reaxy-Rn | 1546504 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1546504&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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2217303 |
Certificate of Analysis | Aug 17, 2022 | B412203 |
| K2217333 |
Certificate of Analysis | Aug 17, 2022 | B412203 |
| K2217295 |
Certificate of Analysis | Aug 17, 2022 | B412203 |
| K2217304 |
Certificate of Analysis | Aug 17, 2022 | B412203 |
| K2217305 |
Certificate of Analysis | Aug 17, 2022 | B412203 |
Chemical and Physical Properties
| Solubility | Insoluble in water and ethanol,30 mg/mL(71.25 mM) in DMSO |
|---|---|
| DMSO(mg / mL) Max Solubility | 30 |
| DMSO(mM) Max Solubility | 71.2453690510117 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 421.100 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 420.914 Da |
| Monoisotopic Mass | 418.916 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
Remind me later