Cas no 345891-62-5 (Atorvastatin Methyl Ester)

Atorvastatin Methyl Ester is a synthetic intermediate derived from Atorvastatin, a widely used statin for cholesterol management. This esterified form enhances solubility and stability, making it suitable for further chemical modifications or analytical applications. Its well-defined structure allows for precise control in pharmaceutical synthesis, particularly in the production of Atorvastatin calcium, the active pharmaceutical ingredient. The compound is characterized by high purity and consistent performance, ensuring reliability in research and manufacturing processes. Its utility as a key precursor underscores its importance in the development of lipid-lowering therapies, offering researchers a versatile tool for drug formulation and metabolic studies.
Atorvastatin Methyl Ester structure
Atorvastatin Methyl Ester structure
Product Name:Atorvastatin Methyl Ester
CAS No:345891-62-5
MF:C34H37FN2O5
MW:572.666393041611
CID:860219
PubChem ID:10099576
Update Time:2025-05-26

Atorvastatin Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • (3R,5R)-Methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
    • ATORVASTATIN METHYL ESTER
    • (3R,5R)-Methyl 7-(2-(4-fluorophenyl)-
    • AK105043
    • ANW-70762
    • CTK8C3889
    • FT-0662330
    • KB-207585
    • methyl (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxyheptanoate
    • methylester of atorvastatin
    • Atorvastatin Impurity J reference substance
    • CS-0112184
    • (3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate; (betaR,deltaR)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-Pyrrole-1-heptanoic acid methyl ester; Atorvastatin Calcium Impurity K; Atorvastatin Impurity K
    • 2YR32CX5GQ
    • Methyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
    • CHEMBL3754604
    • J-019663
    • ATORVASTATIN IMPURITY 9
    • DTXSID40435534
    • Methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
    • SCHEMBL12553314
    • DA-71109
    • Methyl (betaR,deltaR)-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoate
    • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, methyl ester, (betaR,deltaR)-
    • 1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, METHYL ESTER, (.BETA.R,.DELTA.R)-
    • AKOS016007755
    • METHYL (.BETA.R,.DELTA.R)-2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-1-HEPTANOATE
    • HY-135376
    • 345891-62-5
    • methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    • UNII-2YR32CX5GQ
    • Atorvastatin Methyl Ester
    • Inchi: 1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(39)21-29(40)42-3/h4-17,22,27-28,38-39H,18-21H2,1-3H3,(H,36,41)/t27-,28-/m1/s1
    • InChI Key: IRKGCTGBOBRSMG-VSGBNLITSA-N
    • SMILES: FC1C=CC(=CC=1)C1=C(C2C=CC=CC=2)C(C(NC2C=CC=CC=2)=O)=C(C(C)C)N1CC[C@H](C[C@H](CC(=O)OC)O)O

Computed Properties

  • Exact Mass: 572.26865045g/mol
  • Monoisotopic Mass: 572.26865045g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 14
  • Complexity: 838
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.20±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 110-112 oC (hexane ethyl acetate )
  • Refractive Index: 1.653
  • Solubility: Insuluble (3.1E-3 g/L) (25 oC),
  • PSA: 100.79000
  • LogP: 6.47500

Atorvastatin Methyl Ester Pricemore >>

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Additional information on Atorvastatin Methyl Ester

Comprehensive Overview of Atorvastatin Methyl Ester (CAS No. 345891-62-5): Properties, Applications, and Industry Insights

Atorvastatin Methyl Ester (CAS No. 345891-62-5) is a critical intermediate in the synthesis of atorvastatin, a widely prescribed statin for managing cholesterol levels. This compound has garnered significant attention in pharmaceutical research due to its role in optimizing the bioavailability and metabolic stability of the parent drug. With the growing global focus on cardiovascular health and preventive medicine, understanding the chemical and functional properties of Atorvastatin Methyl Ester is essential for researchers and manufacturers alike.

The structural uniqueness of Atorvastatin Methyl Ester lies in its esterified form, which enhances lipophilicity and facilitates easier penetration into cellular membranes. This modification is pivotal during the drug development process, as it allows for better control over the pharmacokinetic profile of atorvastatin. Recent studies highlight its utility in improving drug delivery systems, particularly in formulations targeting LDL cholesterol reduction—a key concern for patients with hyperlipidemia.

In the context of sustainability and green chemistry, the synthesis of Atorvastatin Methyl Ester has evolved to incorporate eco-friendly catalysts and reduced solvent waste. Innovations such as flow chemistry and enzymatic esterification are now being explored to align with the pharmaceutical industry’s push toward environmentally responsible manufacturing. These advancements address frequent search queries like "green synthesis of statin intermediates" and "sustainable pharmaceutical production."

From a commercial perspective, the demand for Atorvastatin Methyl Ester is driven by the expanding generics market and the rising prevalence of cardiovascular diseases. Analysts project steady growth for statin intermediates, fueled by aging populations and increasing health awareness. Searches for terms like "atorvastatin API suppliers" and "high-purity statin intermediates" reflect this trend, underscoring the need for reliable sourcing and stringent quality control.

Quality standards for Atorvastatin Methyl Ester (CAS No. 345891-62-5) are rigorously defined by pharmacopeias such as USP and EP. Impurity profiling, including the detection of process-related degradants, is a recurring topic in analytical forums. Advanced techniques like HPLC-MS and NMR spectroscopy are employed to ensure compliance with regulatory requirements, a subject often queried as "analytical methods for statin intermediates."

Future research on Atorvastatin Methyl Ester may explore its potential in combination therapies or novel formulations, such as nanoparticle-based delivery systems. With AI-driven drug discovery gaining traction, computational modeling of ester derivatives could accelerate the development of next-generation cholesterol-lowering agents. This aligns with trending searches like "AI in pharmaceutical synthesis" and "advanced drug formulation technologies."

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