Cas no 300383-08-8 (4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID)

4-Methyl-3-(morpholine-4-sulfonyl)benzoic acid is a sulfonamide-substituted benzoic acid derivative with potential applications in pharmaceutical and chemical synthesis. Its key structural features include a morpholine sulfonyl group at the 3-position and a methyl substituent at the 4-position of the benzoic acid core, enhancing its reactivity and versatility as an intermediate. The compound's sulfonamide moiety may contribute to binding interactions in medicinal chemistry, while the carboxyl group allows for further functionalization. Its well-defined molecular structure ensures consistent performance in synthetic routes, making it a valuable building block for researchers developing bioactive molecules or specialized organic compounds.
4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID structure
300383-08-8 structure
Product Name:4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID
CAS No:300383-08-8
MF:C12H15NO5S
MW:285.316202402115
MDL:MFCD00492976
CID:843272
PubChem ID:767897
Update Time:2025-05-26

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID Chemical and Physical Properties

Names and Identifiers

    • 4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID
    • 4-Methyl-3-(morpholine-4-sulfonyl)-benzoic acid
    • 4-methyl-3-morpholin-4-ylsulfonylbenzoic acid
    • CHEMBL1333815
    • DB-123524
    • AKOS000114771
    • 4-Methyl-3-(morpholinosulfonyl)benzoicacid
    • DTXSID10354283
    • Oprea1_698907
    • SCHEMBL4252422
    • 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid
    • AB00080361-01
    • MLS000053144
    • CS-0218241
    • EN300-00444
    • J-017743
    • 300383-08-8
    • Cambridge id 5315897
    • 4-Methyl-3-(morpholinosulfonyl)benzoic acid
    • HMS2432L09
    • J-515732
    • SMR000069411
    • Oprea1_622714
    • Z56793520
    • MDL: MFCD00492976
    • Inchi: 1S/C12H15NO5S/c1-9-2-3-10(12(14)15)8-11(9)19(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
    • InChI Key: XWGOGAHEPWTCCH-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(=O)O)C=CC=1C)(N1CCOCC1)(=O)=O

Computed Properties

  • Exact Mass: 285.06700
  • Monoisotopic Mass: 285.06709375g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 424
  • 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: 0.6
  • Topological Polar Surface Area: 92.3?2

Experimental Properties

  • PSA: 92.29000
  • LogP: 1.73280

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID Pricemore >>

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Additional information on 4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID

Comprehensive Overview of 4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID (CAS No. 300383-08-8): Properties, Applications, and Industry Insights

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID (CAS No. 300383-08-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This sulfonamide derivative features a unique molecular structure combining a benzoic acid core with a morpholine sulfonyl moiety, making it valuable for drug discovery and material science applications. Its chemical stability and bioavailability properties align with current industry demands for novel intermediates in small molecule therapeutics.

Recent studies highlight the compound’s role in modulating enzyme inhibition, particularly in targeting kinase pathways—a hot topic in oncology and metabolic disorder research. Researchers are exploring its potential as a scaffold molecule for designing selective inhibitors, addressing frequent search queries like "new kinase inhibitor candidates 2024" or "morpholine sulfonyl derivatives in drug design". The methyl-substituted aromatic ring enhances lipophilicity, a critical factor for blood-brain barrier penetration—an area of growing interest in neurodegenerative disease therapeutics.

From a synthetic chemistry perspective, 300383-08-8 exemplifies modern trends in green chemistry. Its preparation often involves catalytic sulfonylation methods, reducing hazardous byproducts—a response to the surge in searches for "sustainable synthetic routes for sulfonamides". Analytical characterization via HPLC-MS and NMR spectroscopy confirms its high purity (>98%), meeting stringent requirements for pharmaceutical intermediates.

The compound’s structure-activity relationship (SAR) has become a focal point in medicinal chemistry forums. Computational modeling suggests the morpholine sulfonyl group contributes to hydrogen bonding interactions with biological targets, explaining its prevalence in studies related to "GPCR modulator development". This aligns with patent analyses showing increased filings for sulfonamide-containing drugs between 2020-2024.

Industrial applications of 4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOIC ACID extend to advanced material synthesis. Its dual hydrophilic-lipophilic balance (HLB) makes it suitable for designing polymeric carriers in controlled drug delivery systems—a trending topic in "smart biomaterials 2024" discussions. Supply chain data indicates rising demand from contract research organizations (CROs) specializing in preclinical development.

Quality control protocols for CAS 300383-08-8 emphasize ICH guidelines, particularly for genotoxic impurity testing. This responds to regulatory shifts reflected in searches like "FDA sulfonamide impurity limits". Storage recommendations typically specify ambient temperature protection from moisture, with stability studies confirming 24-month shelf life under proper conditions.

Emerging research explores the compound’s utility in proteolysis targeting chimeras (PROTACs), connecting to the booming interest in "targeted protein degradation technologies". The benzoic acid moiety serves as an anchor for E3 ligase recruitment, while the morpholine sulfonyl segment enables target protein binding—demonstrating structural versatility that satisfies multiple drug discovery paradigms simultaneously.

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