Other Inherent Properties

Other Inherent Properties

We are professional in analyzing a variety of physicochemical properties of compounds, such as the log S, log P, log D, and pKa. The comprehensive understanding of the basic properties of an active pharmaceutical ingredient in the early stages of drug discovery has a significant role in supporting the R&D process. Our scientists conduct the physicochemical analysis according to your requirements and will offer you with full range reports of the study or in a spreadsheet format.

Molecular Structure Analysis

Accurate and comprehensive determination of the solid state molecular structure of a drug candidate can provide valuable information that facilitate to support R&D and ensure the quality of end formulation product. The most commonly used analytical techniques in our laboratory are listed as follows:

    • Mass Spectrometry

    Mass spectrometry (MS) is the optimal technique used to obtain the molecular weight and fragmentation data which are useful to the structure elucidation. Utilizing of LC-MS enable scientists obtain the structural data in a complex mixture and further characterize the impurities. More importantly, different ionization techniques are applied depending on the nature of your samples.

    • NMR Spectroscopy

    NMR spectroscopy represents other commonly used technique for molecular structure analysis with the high resolution 1D and 2D NMR spectroscopy are generally used to determine the atomic connectivity and structural conformation while 1H and 13C NMR spectroscopy can offer the detailed information of a molecule.

    • Single Crystal X-ray Diffraction

    Single crystal X-ray diffraction analysis is often applied to determine the dimensions of the unit cell and atomic coordinates. Such approach is a useful tool in the pharmaceutical industry, which can be used to:

    Investigate the chemical structure of API

    Determine the configuration of all stereocenters in a molecule

    Examine the crystal structure or amorphous content

    Determine the salt forms, cocrystals, hydrates, and solvates

    The particle properties including particle size distribution, surface area and shape composed the most fundamental characteristics of a drug compound. Comprehensive determination of these physicochemical properties is an essential process during the early stage of drug development. Therefore, proper matching of these particle properties for API is undoubtedly important to drug development. BOC Sciences is able to conduct a comprehensive API particle characterization using a wide range of analytical tools including but not limited to:

    • Dynamic/Static Image Analysis System
    • Dynamic Light Scattering
    • Laser Diffraction
    • Laser Particle Size Analyzer
    • Raman Mapping
    • BET Flowing Gas Surface Area Analyzers

The acid dissociation constant or acid-ionization constant (pKa), a quantitative measure of the strength of an acid, has been recognized as the one of the most important parameters in drug discovery and formulation development. That’s mainly because the pKa can significantly impact various properties of a drug substances such as absorption, lipophilicity, solubility, dissolution, binding and salt selection, as well as the pharmacokinetic. Various techniques include UV/pH-metric, sirius method, potentiometric titration, NMR titration, liquid chromatography, capillary electrophoresis, and certain combined techniques are able to examine the pKa value through determination of the vastly different properties that specific to different chemical species (cationic, neutral, or anionic).


  1. Arvaniti, E. C., Juenger, M. C., Bernal, S. A., Duchesne, J., Courard, L., Leroy, S., ... & De Belie, N. (2015). Determination of particle size, surface area, and shape of supplementary cementitious materials by different techniques. Materials and Structures48(11), 3687-3701.
  2. Cvetkovski, A., Ferretti, V., & Bertolasi, V. (2017). New pharmaceutical salts containing pyridoxine. Acta Crystallographica Section C: Structural Chemistry73(12), 1064-1070.

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