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2-{[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one hydrochloride (1:1) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one hydrochloride

    Cas No: 117039-05-1

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  • 117039-05-1 Structure
  • Basic information

    1. Product Name: 2-{[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one hydrochloride (1:1)
    2. Synonyms: 4(3H)-Quinazolinone, 2-((1-((hexahydro-1H-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochloride
    3. CAS NO:117039-05-1
    4. Molecular Formula: C27H32N4O2S*ClH
    5. Molecular Weight: 513.0945
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117039-05-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 685.6°C at 760 mmHg
    3. Flash Point: 368.4°C
    4. Appearance: N/A
    5. Density: N/A
    6. Vapor Pressure: 1.2E-18mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-{[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one hydrochloride (1:1)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-{[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one hydrochloride (1:1)(117039-05-1)
    12. EPA Substance Registry System: 2-{[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one hydrochloride (1:1)(117039-05-1)
  • 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: 117039-05-1(Hazardous Substances Data)

117039-05-1 Usage

Chemical structure

The compound has a quinazolinone core with a phenyl group at position 3, a sulfanyl group, and an azepan-1-yl moiety attached at different positions.

Composition

It consists of carbon, hydrogen, nitrogen, oxygen, and sulfur atoms, as well as a hydrochloride salt.

Complex structure

The compound's intricate structure may allow for interactions with various biological targets, making it potentially useful in pharmaceutical applications.

Potential pharmaceutical applications

Due to its complex structure, the compound could have various applications in medicinal chemistry, depending on its specific interactions with biological targets.

Further research and testing

The precise functions and potential uses of this compound would likely depend on additional research and testing to determine its suitability for specific applications in medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 117039-05-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,0,3 and 9 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 117039-05:
(8*1)+(7*1)+(6*7)+(5*0)+(4*3)+(3*9)+(2*0)+(1*5)=101
101 % 10 = 1
So 117039-05-1 is a valid CAS Registry Number.

117039-05-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one,hydrochloride

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:117039-05-1 SDS

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