Sunepitron , CAS No.131831-03-3

CAS: 131831-03-3 Cat. No.: S668123 分子式: C17H23N5O2 分子量: 329.4 PubChem CID: 183092
注文可能
Synonyms
sunepitron | Sunepitron [INN] | Cp 93393 | CP-93393 | CP-93,393 | 2GT50C8U60 | 2,5-Pyrrolidinedione, 1-(((7S,9aS)-octahydro-2-(2-pyrimidinyl)-2H-pyrido(1,2-a)pyrazin-7-yl)methyl)- | UNII-2GT50C8U60 | DTXSID801336204 | YFA40865 | BDBM50187390
Storage
Room temperature
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
S668123-1mg
受注生産 · 8~12週間

$571.90

$857.90
保存 $286.00 (33.34%)
5mg
S668123-5mg
受注生産 · 8~12週間

$1,999.90

$2,999.90
保存 $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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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

同義語
sunepitron | Sunepitron [INN] | Cp 93393 | CP-93393 | CP-93,393 | 2GT50C8U60 | 2,5-Pyrrolidinedione, 1-(((7S,9aS)-octahydro-2-(2-pyrimidinyl)-2H-pyrido(1,2-a)pyrazin-7-yl)methyl)- | UNII-2GT50C8U60 | DTXSID801336204 | YFA40865 | BDBM50187390
保管条件
Room temperature
製品の性質
ALogP0.2
名前と識別子
カノニカル・スマイルC1CC2CN(CCN2CC1CN3C(=O)CCC3=O)C4=NC=CC=N4
IUPAC Name1-[[(7S,9aS)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
InChIKeyUXWBIYCPUVWKHP-KBPBESRZSA-N
INCHI1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2/t13-,14-/m0/s1
異性体SMILES C1C[C@H]2CN(CCN2C[C@H]1CN3C(=O)CCC3=O)C4=NC=CC=N4
PubChem CID 183092
分子量 329.4

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
SuperclassOrganoheterocyclic compounds
分類Diazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents Piperazinopiperidines  Dialkylarylamines  Aminopyrimidines and derivatives  N-alkylpiperazines  N-substituted carboxylic acid imides  N-alkylpyrrolidines  Pyrrolidine-2-ones  Piperidines  Heteroaromatic compounds  Dicarboximides  Amino acids and derivatives  Lactams  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-arylpiperazine - Piperazino-1,2-a-piperidine - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Carboxylic acid imide, n-substituted - Piperidine - Pyrimidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Lactam - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量329.400 g/mol
XLogP30.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass329.185 Da
Monoisotopic Mass329.185 Da
Topological Polar Surface Area69.600 Ų
Heavy Atom Count24
Formal Charge0
Complexity477.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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