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

CAS: 3684-46-6 Cat. No.: B423650 分子式: C17H11Br2NO2 分子量: 421.08
注文可能
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
Size
USA
ドイツ (EU)*
Price
Qty
1ml
B423650-1ml
2 在庫あり

$164.90

$241.90
保存 $77.00 (31.83%)
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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.

概要

Information

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

Specifications

同義語
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
仕様と純度
10mM in DMSO
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
製品の性質
ALogP5.227
hba_count3
回転可能な結合3
名前と識別子
パブケム・シド528771640
カノニカル・スマイルCC1=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
異性体SMILES CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br
分子量 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
分類Quinolines 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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(非人間)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
DMSO(mg / mL) 最大溶解度30
DMSO(mM) 最大溶解度71.2453690510117
水(mg / mL) 最大溶解度<1
分子量421.100 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
ソリューション計算機
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