Phenprocoumon - Moligand™, ≥97% , Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor, CAS No.435-97-2, Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor

CAS: 435-97-2 Cat. No.: P346952 분자식: C18H16O3 분자량: 280.32 EC 번호: 207-108-9 PubChem CID: 54680692
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. ≥97%
Synonyms
4-hydroxy-3-(1-phenylpropyl)chromen-2-one | BRN 1291115 | EINECS 207-108-9 | Marcoumar | 3-[2-[(2,3,4,5,6-2H5)Phenyl]propyl]-4-hydroxy-2H-1-benzopyran-2-one | 3-(alpha-Ethylbenzyl)-4-hydroxycoumarin | DB00946 | Phenprocoumon (Marcumar) | Phenylpropylhydro
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
P346952-5mg
3 재고 있음
—
US$59.90
10mg
P346952-10mg
2 재고 있음
—
US$69.90
25mg
P346952-25mg
1 재고 있음
—
US$129.90
50mg
P346952-50mg
1 재고 있음
—
US$195.90
100mg
P346952-100mg
1 재고 있음
—
US$313.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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.

Specifications

동의어
4-hydroxy-3-(1-phenylpropyl)chromen-2-one | BRN 1291115 | EINECS 207-108-9 | Marcoumar | 3-[2-[(2,3,4,5,6-2H5)Phenyl]propyl]-4-hydroxy-2H-1-benzopyran-2-one | 3-(alpha-Ethylbenzyl)-4-hydroxycoumarin | DB00946 | Phenprocoumon (Marcumar) | Phenylpropylhydro
사양 및 순도
Moligand™, ≥97%
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor
순수함
≥97%
제품 특성
ALogP
3.6
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771357
정식 스마일
CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
IUPAC Name
4-hydroxy-3-(1-phenylpropyl)chromen-2-one
InChIKey
DQDAYGNAKTZFIW-UHFFFAOYSA-N
INCHI
1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
이성체 SMILES
CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
RTECS
GN6769000
PubChem CID
54680692
UN 번호
2811
포장 그룹
III
분자량
280.32

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
분류Coumarins and derivatives
SubclassHydroxycoumarins
Intermediate Tree Nodes Not available
Direct Parent4-hydroxycoumarins
Alternative Parents 1-benzopyrans  Phenylpropanes  Pyranones and derivatives  Vinylogous acids  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Phenylpropane - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors hydroxycoumarin
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
VKORC1 Tclin Vitamin K epoxide reductase complex subunit 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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.

10 results found

Lot NumberCertificate Type날짜항목
F2310417Certificate of AnalysisMar 16, 2026 P346952
F2310419Certificate of AnalysisMar 16, 2026 P346952
F2310420Certificate of AnalysisMar 16, 2026 P346952
F2310421Certificate of AnalysisMar 16, 2026 P346952
F2310422Certificate of AnalysisMar 16, 2026 P346952
F2310424Certificate of AnalysisMar 16, 2026 P346952
F2310425Certificate of AnalysisMar 16, 2026 P346952
F2310427Certificate of AnalysisMar 16, 2026 P346952
F2310428Certificate of AnalysisMar 16, 2026 P346952
F2310437Certificate of AnalysisMar 16, 2026 P346952
화학 및 물리적 특성
용해성Soluble in methanol, and chloroform.DMSO : ≥ 125 mg/mL (445.92 mM)
굴절률n20D1.64 (Predicted)
끓는점(°C)~419.5° C at 760 mmHg (Predicted)
녹는점(°C)173-176° C
분자량280.300 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass280.11 Da
Monoisotopic Mass280.11 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity420.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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