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Kadsurenone - ≥99% , CAS No.95851-37-9

CAS: 95851-37-9 Cat. No.: K646352 분자식: C21H24O5 분자량: 356.41 PubChem CID: 122159
COA
Kadsurenone - ≥99% CAS No(95851-37-9) by Aladdin Scientific
주문 가능
GRADE & PURITY ≥99%
Synonyms
Kadsurenone, (+)- | (2S,3R,3aS)-2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone | (2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one | Kadsurenone A | BDBM50001747 | Q
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1mg
K646352-1mg
주문제작 · 8~12주
US$1,080.90
5mg
K646352-5mg
주문제작 · 8~12주
US$3,160.90
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 솔루션 계산기 리뷰
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads 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

In Vivo

Kadsurenone (i.v.; 20 and 30 mg/kg) undergoes hepatobiliary excretion but might not be regulated by P-glycoprotein (P-gp) transported system . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Sprague-Dawley rats Dosage: 0 and 30 mg/kg Administration: IV Result: Could go through hepatobiliary excretion.

Form:Solid

Specifications

동의어
Kadsurenone, (+)- | (2S,3R,3aS)-2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone | (2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one | Kadsurenone A | BDBM50001747 | Q
사양 및 순도
≥99%
보관 조건
Protected from light,Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
ANTAGONIST
순수함
≥99%
이름과 식별자
정식 스마일CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC
IUPAC Name(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
InChIKeyVDYACOATPFOZIO-UBWHGVKJSA-N
INCHI1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
이성체 SMILES C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@]12OC)CC=C)C3=CC(=C(C=C3)OC)OC
PubChem CID 122159
분자량 356.41

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
SuperclassPhenylpropanoids and polyketides
분류2-arylbenzofuran flavonoids
SubclassNot available
Intermediate Tree Nodes Not available
Direct Parent2-arylbenzofuran flavonoids
Alternative Parents Dimethoxybenzenes  Benzofurans  Phenoxy compounds  Anisoles  Alkyl aryl ethers  Vinylogous esters  Tetrahydrofurans  Cyclic ketones  Oxacyclic compounds  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-arylbenzofuran flavonoid - Dimethoxybenzene - O-dimethoxybenzene - Benzofuran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Tetrahydrofuran - Ketone - Cyclic ketone - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
External Descriptors Neolignans
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTAFR Tchem Platelet activating factor receptor (2575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Oryctolagus cuniculus (11301 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:
화학 및 물리적 특성
분자량356.400 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass356.162 Da
Monoisotopic Mass356.162 Da
Topological Polar Surface Area54.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity622.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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