Broxaldine - 10mM in DMSO , CAS No.3684-46-6

CAS: 3684-46-6 Cat. No.: B423650 Molecular Weight: 421.08
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
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
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
B423650-1ml
2

$164.90

$241.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

Broxaldine (Brobenzoxaldine, AL307) is an antiprotozoal drug and can be used in leprosy.

Specifications

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
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties
ALogP5.227
hba_count3
Rotatable Bond3
Names and Identifiers
Canonical SmilesCC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br
IUPAC Name(5,7-dibromo-2-methylquinolin-8-yl) benzoate
InChIKeyIJTPLVAAROHGGB-UHFFFAOYSA-N
INCHI1S/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
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassHaloquinolines
Intermediate Tree Nodes Not available
Direct ParentHaloquinolines
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility30
DMSO(mM) Max Solubility71.2453690510117
Water(mg / mL) Max Solubility<1
Molecular Weight421.100 g/mol
XLogP35.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass420.914 Da
Monoisotopic Mass418.916 Da
Topological Polar Surface Area39.200 Ų
Heavy Atom Count22
Formal Charge0
Complexity400.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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