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trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde - Moligand™, ≥98% , CAS No.4206-58-0

CAS: 4206-58-0 Cat. No.: I170272 분자식: HOC6H2(OCH3)2CH=CHCHO 분자량: 208.21 EC 번호: 627-731-3
COA
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde - ≥98% CAS No(4206-58-0) by Aladdin Scientific
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
bmse010085 | Sinapinaldehyde | ACon1_001103 | MFCD00075980 | 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | SCHEMBL197270 | 3,4-dimethoxy-4-hydroxycinnamaldehyde | AKOS015999009 | 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)- | (E)-sinapoyl aldehy
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
250mg
I170272-250mg
주문제작 · 8~12주
US$76.90
1g
I170272-1g
주문제작 · 8~12주
US$166.90
5g
I170272-5g
2 재고 있음
—
US$469.90
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ 위시 리스트 ⇅ 비교하기에 추가 ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
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 자주 묻는 질문과 기사 솔루션 계산기 리뷰
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,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

Sinapaldehyde is a methoxyphenol and a selective COX-2 inhibitor (IC50: 47.8 µM) that can be extracted from various plants. Sinapaldehyde has antibacterial, anti-inflammatory, and antioxidant activities. Sinapaldehyde can scavenge DPPH free radicals (IC50: 172 μM). Sinapaldehyde is active against both Gram-negative and Gram-positive bacteria.

Specifications

동의어
bmse010085 | Sinapinaldehyde | ACon1_001103 | MFCD00075980 | 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | SCHEMBL197270 | 3,4-dimethoxy-4-hydroxycinnamaldehyde | AKOS015999009 | 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)- | (E)-sinapoyl aldehy
사양 및 순도
Moligand™, ≥98%
보관 조건
Store at 2-8°C,Argon charged
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
등급
Moligand™
작업 유형
INHIBITOR
순수함
≥98%
이름과 식별자
Pubchem Sid
504763313
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763313
정식 스마일
COC1=CC(=CC(=C1O)OC)C=CC=O
IUPAC Name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
InChIKey
CDICDSOGTRCHMG-ONEGZZNKSA-N
INCHI
1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
이성체 SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C=O
WGK 독일
3
분자량
208.21
Reaxy-Rn
2215798
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215798&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
SuperclassBenzenoids
분류Phenols
SubclassMethoxyphenols
Intermediate Tree Nodes Not available
Direct ParentMethoxyphenols
Alternative Parents Dimethoxybenzenes  Cinnamaldehydes  Styrenes  Phenoxy compounds  Anisoles  Alkyl aryl ethers  Enals  Organic oxides  Hydrocarbon derivatives  Aldehydes  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamaldehyde - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Methoxybenzene - Anisole - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Ether - Aldehyde - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors Sinapate derivatives
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 NumberCertificate Type날짜항목
I2611578Certificate of AnalysisJul 08, 2026 I170272
I2611579Certificate of AnalysisJul 08, 2026 I170272
I2611581Certificate of AnalysisJul 08, 2026 I170272
L2123251Certificate of AnalysisOct 08, 2024 I170272
L2123252Certificate of AnalysisOct 08, 2024 I170272
L2022130Certificate of AnalysisOct 25, 2023 I170272
D2320051Certificate of AnalysisDec 01, 2021 I170272
화학 및 물리적 특성
녹는점(°C)104-106 °C
분자량208.210 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass208.074 Da
Monoisotopic Mass208.074 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count15
Formal Charge0
Complexity213.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
자주 묻는 질문과 기사
Structure–Property Relationships and Identification of Phenylpropanoid Alcohols and Aldehydes: C9 Oxidation State, Conjugation Effects, and Aromatic-Ring Substitution
Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides
Tags:
phenylpropanoid C9 functional group Conjugation Effects Aromatic-Ring Substitution
솔루션 계산기
리뷰

고객 리뷰

Need help choosing the grade?

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

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Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

View related series

Bacterial (5803)

관련 상품

Sinapaldehyde - Moligand™, 10 mM in DMSO , CAS No.4206-58-0
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