Felezonexor - ≥98% , CAS No.1076235-04-5

CAS: 1076235-04-5 Cat. No.: F1308944 EC 번호: 110-097-2 PubChem CID: 25103750

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CC1=C(C(=O)N(C1=O)NC2=NC(=C(C=C2)C(F)(F)F)Cl)COCCC(C)(C)C
• IUPAC Name: 1-[[6-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(3,3-dimethylbutoxymethyl)-4-methylpyrrole-2,5-dione
• InChIKey: CMASLSTVVOYJQY-UHFFFAOYSA-N
• INCHI: 1S/C18H21ClF3N3O3/c1-10-11(9-28-8-7-17(2,3)4)16(27)25(15(10)26)24-13-6-5-12(14(19)23-13)18(20,21)22/h5-6H,7-9H2,1-4H3,(H,23,24)
• 이성체 SMILES: CC1=C(C(=O)N(C1=O)NC2=NC(=C(C=C2)C(F)(F)F)Cl)COCCC(C)(C)C
• 대체 CAS: 1076235-04-5
• PubChem CID: 25103750
• MeSH 용어: CBS 9106;CBS-9106;CBS9106

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Maleimides Aryl chlorides Imidolactams Pyrrolines Dicarboximides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Maleimide - Aryl chloride - Aryl halide - Imidolactam - Dicarboximide - Heteroaromatic compound - Pyrroline - Carboxylic acid hydrazide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

화학 및 물리적 특성

• 분자량: 419.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 419.122 Da
• Monoisotopic Mass: 419.122 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 646.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1076235-04-5. InChIKey CMASLSTVVOYJQY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.