Cas no 1261890-00-9 (3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol)

3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol structure
1261890-00-9 structure
Product Name:3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol
CAS No:1261890-00-9
MF:C15H10FNO3
MW:271.243207454681
MDL:MFCD18314491
CID:2761519
PubChem ID:53220165
Update Time:2025-07-21

3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%
    • MFCD18314491
    • 1261890-00-9
    • DTXSID10684936
    • Methyl 3'-cyano-5-fluoro-5'-hydroxy[1,1'-biphenyl]-3-carboxylate
    • 3-CYANO-5-(3-FLUORO-5-METHOXYCARBONYLPHENYL)PHENOL
    • 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol
    • MDL: MFCD18314491
    • Inchi: 1S/C15H10FNO3/c1-20-15(19)12-4-11(5-13(16)6-12)10-2-9(8-17)3-14(18)7-10/h2-7,18H,1H3
    • InChI Key: SATUPMSCACECTJ-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C=C(C=1)C1C=C(C#N)C=C(C=1)O

Computed Properties

  • Exact Mass: 271.06447134g/mol
  • Monoisotopic Mass: 271.06447134g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 70.3?2

3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320534-5 g
3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .
1261890-00-9 95%
5g
€1159.00 2023-04-26
abcr
AB320534-5g
3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .
1261890-00-9 95%
5g
€1159.00 2025-03-19

Additional information on 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol

Research Brief on 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol (CAS: 1261890-00-9): Recent Advances and Applications

The compound 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol (CAS: 1261890-00-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and potential as a drug candidate. The following sections provide a comprehensive overview of the current state of research, highlighting key discoveries and future directions.

Recent studies have explored the synthetic pathways for 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, emphasizing its role as an intermediate in the development of novel bioactive molecules. A 2023 publication in the Journal of Medicinal Chemistry detailed an optimized synthetic route that improves yield and purity, addressing previous challenges in large-scale production. The compound's fluorinated aromatic core and cyano group contribute to its stability and reactivity, making it a versatile building block for further chemical modifications.

In terms of biological activity, preliminary in vitro studies have demonstrated that 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol exhibits promising inhibitory effects on specific enzyme targets associated with inflammatory and oncogenic pathways. For instance, a study published in Bioorganic & Medicinal Chemistry Letters reported its potent inhibition of COX-2, with an IC50 value in the nanomolar range. These findings suggest its potential as a lead compound for anti-inflammatory drug development, though further in vivo validation is required.

Additionally, computational modeling and structure-activity relationship (SAR) studies have provided insights into the molecular interactions of 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol with its biological targets. Molecular docking simulations reveal that the compound's fluoro and methoxycarbonyl groups play critical roles in binding affinity and selectivity. These computational insights are guiding the design of derivatives with enhanced pharmacological properties.

Despite these advancements, challenges remain in translating the compound's potential into clinical applications. Issues such as bioavailability, metabolic stability, and toxicity profiles need to be addressed through systematic preclinical studies. Recent collaborative efforts between academic and industrial researchers aim to bridge these gaps, with several patent applications filed in 2023 highlighting its commercial potential.

In conclusion, 3-Cyano-5-(3-fluoro-5-methoxycarbonylphenyl)phenol (CAS: 1261890-00-9) represents a promising candidate for further investigation in drug discovery. Its unique chemical structure and demonstrated biological activity position it as a valuable tool for developing therapeutics targeting inflammation and cancer. Future research should focus on optimizing its pharmacokinetic properties and expanding its therapeutic scope through targeted derivatization.

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