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Bufuralol(Ro 3-4787) - Moligand™, ≥95% , CAS No.54340-62-4

Bufuralol(Ro 3-4787) - Moligand™, ≥95% , CAS No.54340-62-4

Name: Bufuralol(Ro 3-4787) - Moligand™, ≥95% , CAS No.54340-62-4
SKU: B608248
Availability: InStock

CAS: 54340-62-4 Cat. No.: B608248 분자식: C₁₆H₂₃NO₂ 분자량: 261.36

COA

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주문 가능

GRADE & PURITY Moligand™ ? ≥95%

Synonyms

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.

개요

Bufuralol (Ro 3-4787) is a potent, non-selective β-adrenergic receptor antagonist with partial agonist activity. Bufuralol hydrochloride is a substrate for a CYP2D6 probe.

Specifications

동의어

사양 및 순도

Moligand™, ≥95%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

ANTAGONIST

순수함

≥95%

이름과 식별자

정식 스마일	CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O
IUPAC Name	2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
InChIKey	SSEBTPPFLLCUMN-UHFFFAOYSA-N
INCHI	1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
이성체 SMILES	CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O
분자량	261.36

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Benzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Benzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzofurans
Alternative Parents	Aralkylamines Benzenoids Heteroaromatic compounds Furans Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuran - Aralkylamine - Benzenoid - Furan - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Aromatic alcohol - Amine - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors	benzofurans
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

3D 구조

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리뷰

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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감도	Moisture sensitive；Light sensitive
분자량	261.360 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	261.173 Da
Monoisotopic Mass	261.173 Da
Topological Polar Surface Area	45.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	287.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1