(S)-Propafenone , CAS No.107381-32-8

CAS: 107381-32-8 Cat. No.: P342409 분자식: C21H27NO3 분자량: 341.44 PubChem CID: 184820
주문 가능
Synonyms
HY-B0432B | CCG-205105 | RKL10079 | 1-{2-[(2S)-2-HYDROXY-3-(PROPYLAMINO)PROPOXY]PHENYL}-3-PHENYLPROPAN-1-ONE | AKOS040737220 | DB15410 | Lopac-P-9708 | PB12713 | (-)-(S)-Propafenone | 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanon
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
P342409-5mg
주문제작 · 8~12주
US$390.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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.

개요

(S)-Propafenone is a sodium channel protein inhibitor.

Specifications

동의어
HY-B0432B | CCG-205105 | RKL10079 | 1-{2-[(2S)-2-HYDROXY-3-(PROPYLAMINO)PROPOXY]PHENYL}-3-PHENYLPROPAN-1-ONE | AKOS040737220 | DB15410 | Lopac-P-9708 | PB12713 | (-)-(S)-Propafenone | 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanon
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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이름과 식별자
정식 스마일CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
IUPAC Name1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
InChIKeyJWHAUXFOSRPERK-SFHVURJKSA-N
INCHI1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1
이성체 SMILES CCCNC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
PubChem CID 184820
분자량 341.44

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
분류Linear 1,3-diarylpropanoids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentLinear 1,3-diarylpropanoids
Alternative Parents Alkyl-phenylketones  Butyrophenones  Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Aryl alkyl ketones  Alkyl aryl ethers  Secondary alcohols  1,2-aminoalcohols  Dialkylamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Ketone - Secondary amine - Secondary aliphatic amine - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CYP2D6 Tclin Cytochrome P450 2D6 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABCB1 Tchem Multidrug resistance protein 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM/VCR-1000 (82 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THPO Tbio Thrombopoietin (834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 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
녹는점(°C)65-67° C
분자량341.400 g/mol
XLogP33.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass341.199 Da
Monoisotopic Mass341.199 Da
Topological Polar Surface Area58.600 Ų
Heavy Atom Count25
Formal Charge0
Complexity368.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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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