ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-ethyl-4H-pyran-3-carboxylate

Base Information

• Chemical Name: ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-ethyl-4H-pyran-3-carboxylate
• CAS No.: 5281-34-5
• Molecular Formula: C14H20 S
• Molecular Weight: 372.415
• DSSTox Substance ID: DTXSID40385585
• ChEMBL ID: CHEMBL1402694

Synonyms:5281-34-5;ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-ethyl-4H-pyran-3-carboxylate;ethyl 6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-ethyl-4H-pyran-3-carboxylate;SMR000102539;Oprea1_099902;MLS000392019;CHEMBL1402694;DTXSID40385585;HMS2550H21

Chemical Property of ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-ethyl-4H-pyran-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.97E-12mmHg at 25°C
• Boiling Point: 556.8°Cat760mmHg
• Flash Point: 290.5°C
• Density: 1.22g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 372.16852187
• Heavy Atom Count: 27
• Complexity: 675

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(C(=C(O1)N)C#N)C2=C(C(=C(C=C2)OC)C)OC)C(=O)OCC

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