Cas no 87505-04-2 (rac 1-Heptandecanoyl-3-chloropropanediol)

rac 1-Heptandecanoyl-3-chloropropanediol structure
87505-04-2 structure
Product Name:rac 1-Heptandecanoyl-3-chloropropanediol
CAS No:87505-04-2
MF:C20H39ClO3
MW:362.97486615181
CID:826956
PubChem ID:46781684
Update Time:2025-10-23

rac 1-Heptandecanoyl-3-chloropropanediol Chemical and Physical Properties

Names and Identifiers

    • 1-HEPT AND ECANOYL-3-CHLOROPROPANEDIOL
    • rac 1-Heptandecanoyl-3-chloropropanediol
    • (3-chloro-2-hydroxypropyl) heptadecanoate
    • RAC 1-HEPTANDECANOYL-3-CHLOROPROPANEDIOL,WHITE WAXY SOLID
    • 1-O-hexadecyl-3-chloro-rac-glycerol
    • HEPTADECANOIC ACID 3-CHLORO-2-HYDROXYPROPYL ESTER
    • FT-0669126
    • AKOS030255896
    • 3-CHLORO-2-HYDROXYPROPYL HEPTADECANOATE
    • 87505-04-2
    • DTXSID40675918
    • Heptadecanoic Acid 3-Chloro-2-hydroxypropyl Ester;
    • DB-247003
    • Inchi: 1S/C20H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,22H,2-18H2,1H3
    • InChI Key: RLJUXUGMOYWYGM-UHFFFAOYSA-N
    • SMILES: ClCC(COC(CCCCCCCCCCCCCCCC)=O)O

Computed Properties

  • Exact Mass: 362.25900
  • Monoisotopic Mass: 362.2587728g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 19
  • Complexity: 272
  • 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
  • XLogP3: 8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Melting Point: 30-31°C
  • PSA: 46.53000
  • LogP: 6.00070

rac 1-Heptandecanoyl-3-chloropropanediol Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

rac 1-Heptandecanoyl-3-chloropropanediol Pricemore >>

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rac 1-Heptandecanoyl-3-chloropropanediol Related Literature

Additional information on rac 1-Heptandecanoyl-3-chloropropanediol

Recent Advances in the Study of rac 1-Heptandecanoyl-3-chloropropanediol (CAS: 87505-04-2)

In recent years, the compound rac 1-Heptandecanoyl-3-chloropropanediol (CAS: 87505-04-2) has garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique structural features, has been the subject of numerous studies aimed at exploring its potential applications in drug development, chemical synthesis, and biological activity modulation. The following sections provide a comprehensive overview of the latest research findings related to this compound, highlighting its synthesis, properties, and potential therapeutic uses.

Recent studies have focused on the synthesis and optimization of rac 1-Heptandecanoyl-3-chloropropanediol, with particular emphasis on improving yield and purity. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel enzymatic approach to synthesizing this compound, which demonstrated higher efficiency and reduced environmental impact compared to traditional chemical methods. The study also explored the stereochemical implications of the racemic mixture, providing insights into its biological activity and potential for chiral resolution.

The biological activity of rac 1-Heptandecanoyl-3-chloropropanediol has been another area of intense investigation. Preliminary in vitro studies have shown that this compound exhibits moderate inhibitory effects on certain cancer cell lines, particularly those associated with breast and prostate cancers. Researchers hypothesize that the chloropropanediol moiety may play a critical role in its mechanism of action, possibly through interaction with cellular signaling pathways. Further in vivo studies are currently underway to validate these findings and assess the compound's pharmacokinetic properties.

In addition to its potential therapeutic applications, rac 1-Heptandecanoyl-3-chloropropanediol has also been studied for its utility in chemical biology. A recent study published in Chemical Communications demonstrated its use as a versatile building block for the synthesis of more complex molecules, including lipid analogs and prodrugs. The compound's ability to undergo selective acylation and chlorination reactions makes it a valuable tool for synthetic chemists working in drug discovery and development.

Despite these promising findings, challenges remain in the development and application of rac 1-Heptandecanoyl-3-chloropropanediol. Issues such as stability, solubility, and potential toxicity need to be addressed before it can be considered for clinical use. Ongoing research is focused on optimizing the compound's physicochemical properties and exploring its interactions with biological targets at the molecular level. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate progress in this area.

In conclusion, rac 1-Heptandecanoyl-3-chloropropanediol (CAS: 87505-04-2) represents a promising candidate for further investigation in the fields of drug development and chemical biology. The latest research highlights its potential as a therapeutic agent and a versatile synthetic intermediate, while also underscoring the need for additional studies to overcome existing limitations. As the scientific community continues to explore the full scope of its applications, this compound is likely to play an increasingly important role in advancing our understanding of chemical-biological interactions and the development of novel pharmaceuticals.

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