Description

2-[(Cyclohexyl-Methyl-Carbamoyl)-Methylsulfanyl]-Benzoic Acid is a specialized organic compound featuring a benzoic acid core functionalized with a carbamoyl-methylsulfanyl moiety, making it a valuable intermediate in advanced synthetic chemistry. This compound matters for its role in constructing complex molecular architectures, particularly in the development of active pharmaceutical ingredients (APIs) and high-performance materials. It is primarily needed by research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries for lead optimization and process chemistry.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting neurological or metabolic pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or plant growth regulators due to its bioactive scaffold.
• Ligand Synthesis: Serves as a precursor for creating specialized ligands used in catalysis and metal-organic frameworks (MOFs).
• Polymer Modification: Can be incorporated into polymer chains to impart specific chemical or physical properties.
• Chemical Biology Probes: Utilized in the design of molecular probes for studying enzyme function or cellular processes.
• Custom Synthesis: Employed by contract research and manufacturing organizations (CROs/CMOs) for client-specific molecule assembly.

Basic Information

Product Name	2-[(Cyclohexyl-Methyl-Carbamoyl)-Methylsulfanyl]-Benzoic Acid
CAS No.	793716-20-8
Molecular Formula	C16H21NO3S
Molecular Weight	307.41 g/mol
Synonyms	2-[(Cyclohexyl(methyl)carbamoyl)methylsulfanyl]benzoic acid; Benzoic acid, 2-[[[cyclohexyl(methyl)amino]carbonyl]methyl]thio]-; 2-({[(Cyclohexyl)(methyl)carbamoyl]methyl}sulfanyl)benzoic acid; 2-[[(Cyclohexylmethylcarbamoyl)methyl]sulfanyl]benzoic acid; 2-[(N-Cyclohexyl-N-methylcarbamoylmethyl)thio]benzoic acid; 793716-20-8; Cyclohexyl-methyl-carbamic acid (2-carboxy-phenylsulfanylmethyl)-ester (tautomeric form)
EINECS	Contact for details

Quality Control

Our 2-[(Cyclohexyl-Methyl-Carbamoyl)-Methylsulfanyl]-Benzoic Acid is produced under a strict quality management system. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency, meeting the high standards required for research and process development. Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.