Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester

Base Information

• Chemical Name: Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester
• CAS No.: 290814-68-5
• Molecular Formula: C25H20N2O3
• Molecular Weight: 396.4
• UNII: IN93MQ497D
• Nikkaji Number: J1.314.465F
• Wikidata: Q27280810
• ChEMBL ID: CHEMBL5186534

Synonyms:PBOX-6;pyrrolo-1,5-benzoxazepine-6

Chemical Property of Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester

Chemical Property:

• PKA: -1.32±0.70(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 396.14739250
• Heavy Atom Count: 30
• Complexity: 675

Purity/Quality:

97% ^*data from raw suppliers

PBOX-6 ≥98% (HPLC) ^*data from reagent suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

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