WAY-600704 - ≥95% , CAS No.301330-94-9

CAS: 301330-94-9 Cat. No.: W418169 Formula: C₁₇H₂₂N₂O Peso molecolare: 270.36938 PubChem CID: 692276

GRADE & PURITY ≥95%

Synonyms

2-(azepan-1-yl)-7-methoxy-4-methylquinoline;oxalic acid | SMR000354779 | STK976105 | MLS001018567 | BDBM72595 | cid_16195960 | 2-(1-azepanyl)-7-methoxy-4-methylquinoline;oxalic acid | SCHEMBL6512019 | 2-(azepan-1-yl)-7-methoxy-4-methylquinoline | 2-(azepa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

ethanolamine kinase inhibitor

Specifications

Sinonimi

2-(azepan-1-yl)-7-methoxy-4-methylquinoline;oxalic acid | SMR000354779 | STK976105 | MLS001018567 | BDBM72595 | cid_16195960 | 2-(1-azepanyl)-7-methoxy-4-methylquinoline;oxalic acid | SCHEMBL6512019 | 2-(azepan-1-yl)-7-methoxy-4-methylquinoline | 2-(azepa

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Proprietà del prodotto

ALogP

4.56

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

488191157

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191157

Sorrisi canonici

CC1=CC(=NC2=C1C=CC(=C2)OC)N3CCCCCC3

IUPAC Name

2-(azepan-1-yl)-7-methoxy-4-methylquinoline

InChIKey

IEOBQTYHOHTUKL-UHFFFAOYSA-N

INCHI

1S/C17H22N2O/c1-13-11-17(19-9-5-3-4-6-10-19)18-16-12-14(20-2)7-8-15(13)16/h7-8,11-12H,3-6,9-10H2,1-2H3

Isomeri SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N3CCCCCC3

PubChem CID

692276

Peso molecolare

270.36938

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Dialkylarylamines Anisoles Methylpyridines Azepanes Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Methylpyridine - Azepane - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 270.370 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.173 Da
• Monoisotopic Mass: 270.173 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 301.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 301330-94-9, the molecular formula is C17H22N2O, and the molecular weight is 270.36938 g/mol. InChIKey IEOBQTYHOHTUKL-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.