Cas no 7500-39-2 (5-Phenylazepan-2-one)

5-Phenylazepan-2-one is a cyclic amide (lactam) featuring a phenyl substituent at the 5-position of the azepane ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmacologically active molecules and heterocyclic frameworks. Its rigid yet flexible seven-membered ring structure offers unique steric and electronic properties, enabling selective functionalization and ring-opening reactions. The phenyl group enhances lipophilicity, making it valuable in medicinal chemistry for modulating bioavailability and target binding. The lactam moiety provides a reactive site for further derivatization, such as reduction or nucleophilic attack, facilitating the construction of complex amines or polycyclic systems. Suitable for controlled ring-expansion strategies and scaffold diversification.
5-Phenylazepan-2-one structure
5-Phenylazepan-2-one structure
Product Name:5-Phenylazepan-2-one
CAS No:7500-39-2
MF:C12H15NO
MW:189.253603219986
MDL:MFCD12174726
CID:47530
PubChem ID:343883
Update Time:2025-06-09

5-Phenylazepan-2-one Chemical and Physical Properties

Names and Identifiers

    • 5-Phenylazepan-2-one
    • 5-PHENYL-2-AZEPANONE
    • hexahydro-5-phenyl-2H-Azepin-2-one
    • 4-Phenyl-6-amino-capronsaeure-lactam
    • 4-phenyl-6-caprolactam
    • 5-phenyl-azepan-2-one
    • 5-Phenyl-hexahydro-azepin-2-on
    • 5-phenyl-hexahydro-azepin-2-one
    • hexahydro-5-phenyl-1H-azepin-2-one
    • 5-Phenylhexahydro-1H-azepin-2-one
    • NSC400453
    • A9578
    • 7500-39-2
    • SCHEMBL2937477
    • CS-0251355
    • AKOS009492950
    • FT-0763949
    • NSC 400453
    • Z425362292
    • EN300-54450
    • NSC-400453
    • AT32655
    • DB-013518
    • MDL： MFCD12174726
    • Inchi： 1S/C12H15NO/c14-12-7-6-11(8-9-13-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
    • InChI Key： STAHPHVAVALBIH-UHFFFAOYSA-N
    • SMILES： O=C1CCC(C2C=CC=CC=2)CCN1

Computed Properties

  • Exact Mass: 189.11500
  • Monoisotopic Mass: 189.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.7
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.10000
  • LogP: 2.39910

5-Phenylazepan-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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5-Phenylazepan-2-one Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:7500-39-2)5-Phenylazepan-2-one
Order Number:A9578
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:09
Price ($):203.0

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Amadis Chemical Company Limited
(CAS:7500-39-2)5-Phenylazepan-2-one
A9578
Purity:99%
Quantity:1g
Price ($):203.0
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