N-(Benzyloxy)-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)acetamide

Base Information

• Chemical Name: N-(Benzyloxy)-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)acetamide
• CAS No.: 127408-30-4
• Molecular Formula: C21H22 N2 O4
• Molecular Weight: 366.41038
• UNII: 3XM5F7WR44
• DSSTox Substance ID: DTXSID80925883
• Nikkaji Number: J475.135C
• Wikidata: Q27164516
• ChEMBL ID: CHEMBL1476996
• Mol file: 127408-30-4.mol

Synonyms:(+)-(3S,4R)-4-(N-acetyl-N-benzyloxyamino)-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-ol;Y 27152;Y-27152

Chemical Property of N-(Benzyloxy)-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)acetamide

Chemical Property:

• Vapor Pressure: 2.29E-11mmHg at 25°C
• Boiling Point: 513.4°Cat760mmHg
• PKA: 13.18±0.60(Predicted)
• Flash Point: 264.3°C
• PSA: 82.79000
• Density: 1.28g/cm³
• LogP: 3.11158
• Storage Temp.: Store at RT
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 366.15795719
• Heavy Atom Count: 27
• Complexity: 578

Purity/Quality:

98%Min ^*data from raw suppliers

Y-27152 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3
• Isomeric SMILES: CC(=O)N([C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3
• Uses: Y-27152, is a prodrug of the Kir6 (KATP) channel opener. It has also shown to produce antihypertensive effects in vivo, with minimal tachycardia following oral administration in hypertensive animals.