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2-Benzothiazolebutanoic acid (9CI) is a chemical compound with the molecular formula C11H11NO2S. It is a derivative of benzothiazole, known for its potential applications in organic synthesis and pharmaceutical research. This versatile compound possesses antimicrobial and antifungal properties, making it a promising candidate for the development of drugs for various medical conditions.

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  • 41387-91-1 Structure
  • Basic information

    1. Product Name: 2-Benzothiazolebutanoicacid(9CI)
    2. Synonyms: 2-Benzothiazolebutanoicacid(9CI);4-(1,3-benzothiazol-2-yl)butyric acid
    3. CAS NO:41387-91-1
    4. Molecular Formula: C11H11NO2S
    5. Molecular Weight: 221.28
    6. EINECS: N/A
    7. Product Categories: BENZOTHIAZOLE
    8. Mol File: 41387-91-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 414.3 °C at 760 mmHg
    3. Flash Point: 204.4 °C
    4. Appearance: /
    5. Density: 1.327 g/cm3
    6. Vapor Pressure: 1.31E-07mmHg at 25°C
    7. Refractive Index: 1.651
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-Benzothiazolebutanoicacid(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Benzothiazolebutanoicacid(9CI)(41387-91-1)
    12. EPA Substance Registry System: 2-Benzothiazolebutanoicacid(9CI)(41387-91-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 41387-91-1(Hazardous Substances Data)

41387-91-1 Usage

Uses

Used in Pharmaceutical Research:
2-Benzothiazolebutanoic acid (9CI) is used as a research compound for the development of drugs targeting various medical conditions. Its unique chemical structure and properties contribute to the discovery of novel therapeutic agents.
Used in Organic Synthesis:
In the field of organic synthesis, 2-Benzothiazolebutanoic acid (9CI) serves as a key intermediate for the synthesis of complex organic molecules. Its reactivity and functional groups enable the formation of diverse chemical products.
Used in Antimicrobial Applications:
2-Benzothiazolebutanoic acid (9CI) is used as an antimicrobial agent due to its ability to inhibit the growth of bacteria and other microorganisms. This property makes it suitable for use in the development of antibiotics and antimicrobial agents for various applications.
Used in Antifungal Applications:
The antifungal properties of 2-Benzothiazolebutanoic acid (9CI) make it a valuable compound in the development of antifungal drugs. It can be used to treat fungal infections and prevent the growth of fungi in various settings.

Check Digit Verification of cas no

The CAS Registry Mumber 41387-91-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,3,8 and 7 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 41387-91:
(7*4)+(6*1)+(5*3)+(4*8)+(3*7)+(2*9)+(1*1)=121
121 % 10 = 1
So 41387-91-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,13,14)

41387-91-1Downstream Products

41387-91-1Relevant articles and documents

An efficient synthesis of novel di-heterocyclic benzazole derivatives and evaluation of their antiproliferative activities

Algul, Oztekin,Ersan, Ronak Haj,Alagoz, Mehmet Abdullah,Duran, Nizami,Burmaoglu, Serdar

, p. 6926 - 6938 (2020/08/13)

A series of unsymmetrical nine di-heterocyclic compounds of benzazole derivatives were synthesized at one step via cyclization reaction. The compounds evaluated for in?vitro cytotoxic activity against A549, A498, HeLa, and HepG2 cancer cell lines. The biological evaluation results show that 23, 26 and 29 exhibit better activity against HepG2 and HeLa cancer cell lines. Compound 23 also showed good activity against A549, and A498 cancer cell lines. The analogs were further performed molecular docking studies against human cytochrome P450 2C8 monooxygenase enzyme, calculated some theoretical quantum parameters, ADMET descriptor and molecular electrostatic potential analysis. The strategy applied in this research work may act as a perspective for the rational design of potential anticancer drugs. Communicated by Ramaswamy H. Sarma.

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