Valproic Acid Methyl Ester - ≥98% , CAS No.22632-59-3

CAS: 22632-59-3 Cat. No.: V341954 분자식: C₉H₁₈O₂ 분자량: 158.24 EC 번호: 607-119-2 PubChem CID: 519972

등급 & 순도 ≥98%

Synonyms

Methyl valproate | Q63395638 | Methyl 2-propylpentanoate | 2-Propylpentanoic acid methyl ester; Valeric acid, 2-propyl-, methyl ester (6CI,7CI,8CI); Methyl 2-propylpentanoate; Methyl dipropylacetate; Methyl valproate | XAA63259 | EN300-7000450 | Pentanoic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

Methyl valproate | Q63395638 | Methyl 2-propylpentanoate | 2-Propylpentanoic acid methyl ester; Valeric acid, 2-propyl-, methyl ester (6CI,7CI,8CI); Methyl 2-propylpentanoate; Methyl dipropylacetate; Methyl valproate | XAA63259 | EN300-7000450 | Pentanoic

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528769203

정식 스마일

CCCC(CCC)C(=O)OC

IUPAC Name

methyl 2-propylpentanoate

InChIKey

WPRYUWYMOZQHIY-UHFFFAOYSA-N

INCHI

1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3

이성체 SMILES

CCCC(CCC)C(=O)OC

PubChem CID

519972

분자량

158.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)

Discover Target: GSK3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 분자량: 158.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.131 Da
• Monoisotopic Mass: 158.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1