Cas no 885277-00-9 (1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)-)

1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)- structure
885277-00-9 structure
Product Name:1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)-
CAS No:885277-00-9
MF:C20H19ClN2O3
MW:370.829464197159
MDL:MFCD04115210
CID:711406
PubChem ID:53408532
Update Time:2025-07-19

1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)-
    • 2-(1-benzofuran-2-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]acetic acid
    • BENZOFURAN-2-YL-[4-(4-CHLORO-PHENYL)-PIPERAZIN-1-YL]-ACETIC ACID
    • BENZOFURAN-2-YL-[4-(4-CHLOROPHENYL)PIPERAZIN-1-YL]ACETIC ACID,
    • 1-Piperazineaceticacid,a-2-benzofuranyl-4-(4-chlorophenyl)
    • 885277-00-9
    • benzo[b]furan-2-yl-[4-(4-chlorophenyl)piperazin-1-yl]acetic acid
    • (1-Benzofuran-2-yl)[4-(4-chlorophenyl)piperazin-1-yl]acetic acid
    • BENZOFURAN-2-YL-[4-(4-CHLORO-PHENYL)-PIPERAZIN-1-YL]-ACETICACID
    • C20H19ClN2O3
    • DTXSID80696329
    • SB39499
    • 2-(benzofuran-2-yl)-2-(4-(4-chlorophenyl)piperazin-1-yl)acetic acid
    • MDL: MFCD04115210
    • Inchi: 1S/C20H19ClN2O3/c21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)19(20(24)25)18-13-14-3-1-2-4-17(14)26-18/h1-8,13,19H,9-12H2,(H,24,25)
    • InChI Key: AIRBEPRGMHKPLZ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)N1CCN(C(C(=O)O)C2=CC3C=CC=CC=3O2)CC1

Computed Properties

  • Exact Mass: 370.10800
  • Monoisotopic Mass: 370.108
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 489
  • 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: nothing
  • XLogP3: 1.9
  • Topological Polar Surface Area: 56.9A^2

Experimental Properties

  • PSA: 56.92000
  • LogP: 4.03700

1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)- Pricemore >>

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Additional information on 1-Piperazineaceticacid, a-2-benzofuranyl-4-(4-chlorophenyl)-

1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- (CAS No. 885277-00-9)

1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- (CAS No. 885277-00-9) is a complex organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, holds potential applications in the development of novel therapeutic agents. The compound's structure includes a piperazine ring, a benzofuran moiety, and a chlorinated phenyl group, which collectively contribute to its pharmacological properties.

The piperazine ring is a common structural motif in many pharmaceuticals due to its ability to enhance solubility and bioavailability. In the case of 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)-, the piperazine ring plays a crucial role in modulating the compound's interactions with biological targets. The benzofuran moiety, on the other hand, is known for its aromatic stability and potential to influence receptor binding affinity. The presence of a chlorinated phenyl group further enhances the compound's lipophilicity and can affect its metabolic stability and pharmacokinetic profile.

Recent studies have explored the potential of 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- in various therapeutic areas. One notable application is in the treatment of neurological disorders. Research has shown that compounds with similar structural features can modulate neurotransmitter systems, particularly those involving serotonin and dopamine. These neurotransmitters play critical roles in mood regulation, cognitive function, and motor control. By targeting these systems, 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- may offer new avenues for treating conditions such as depression, anxiety, and Parkinson's disease.

In addition to its potential in neurological disorders, 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- has also been investigated for its anti-inflammatory properties. Inflammation is a key factor in many chronic diseases, including arthritis and inflammatory bowel disease (IBD). Preclinical studies have demonstrated that this compound can inhibit pro-inflammatory cytokines and reduce oxidative stress, suggesting its potential as an anti-inflammatory agent.

The pharmacokinetic properties of 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- have been extensively studied to optimize its therapeutic efficacy. Research has shown that the compound exhibits good oral bioavailability and a favorable half-life, making it suitable for once-daily dosing regimens. However, further studies are needed to fully understand its metabolism and potential drug-drug interactions.

Safety and toxicity profiles are critical considerations in drug development. Preliminary toxicology studies of 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- have indicated low toxicity at therapeutic doses. However, more comprehensive safety assessments are required to ensure its long-term safety and tolerability in human patients.

In conclusion, 1-Piperazineacetic acid, α-2-benzofuranyl-4-(4-chlorophenyl)- (CAS No. 885277-00-9) represents a promising candidate for the development of novel therapeutic agents. Its unique structural features and multifaceted biological activities make it an attractive target for further research and development. Ongoing studies are expected to provide deeper insights into its mechanisms of action and potential clinical applications.

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