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2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride | CAS No. 754240-09-0

2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride

Basic Information

Chemical_Structure_Of
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CAS Number

754240-09-0

Molecular Formula

C25H29Cl2F3N2O4S

Molecular Weight

581.48 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

H2O: soluble10mg/mL, clear

SMILES

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C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H

InChIKey

LSECOAJFCKFQJG-UHFFFAOYSA-N

LogP

6.224000000000006

Topological Polar Surface Area

64.8 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

770

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-[(morpholin-4-yl)methyl]-5-[(5-{[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride
  • CCG-270134
  • 4H-Pyran-4-one,2-(4-morpholinylmethyl)-5-[[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentyl]oxy]-,hydrochloride(1:2)
  • HY-16659
  • EHT 1864 is known as a Rac inhibitor, part of a subfamily of Rho GTPases.
  • EX-A513
  • BS-17446
  • 2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride
  • 754240-09-0 (HCl)
  • SW220265-1
  • EHT1864
  • MFCD11114384
  • CHEMBL3216441
  • s7482
  • 2-(morpholinomethyl)-5-((5-((7-(trifluoromethyl)quinolin-4-yl)thio)pentyl)oxy)-4H-pyran-4-one 2HCl
  • EHT 1864 2HCl
  • 2-(Morpholinomethyl)-5-((5-((7-(trifluoromethyl)quinolin-4-yl)thio)pentyl)oxy)-4H-pyran-4-one dihydrochloride
  • CS-3154
  • FT-0700491
  • AC-36051
  • 5-(5-(7-(Trifluoromethyl)quinolin-4-ylthio)pentyloxy)-2-(morpholinomethyl)-4H-pyran-4-one dihydrochloride
  • SCHEMBL384979
  • EHT 1864
  • AKOS024457839
  • BCP09829
  • EHT-1864 HCl
  • 4H-Pyran-4-one, 2-(4-morpholinylmethyl)-5-((5-((7-(trifluoromethyl)-4-quinolinyl)thio)pentyl)oxy)-, dihydrochloride
  • 754240-09-0
  • 5(5(7(trifluoromethyl)quinolin-4-ylthio)pentyloxy)-2-(morpholinomethyl)-4h-pyran-4-one dihydrochloride
  • AM85901
  • EHT 1864, >=98% (HPLC)

MDL Number

MFCD11114384

FAQ

What regulatory guidelines apply to 2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride (CAS: 754240-09-0)?
The compound is subject to GHS classification, REACH regulations, and FDA/EPA requirements. Specific guidelines include proper handling, storage, and disposal to prevent environmental contamination and ensure worker safety. Detailed documentation and safety data sheets (SDS) are necessary for compliance.

Are there alternatives to 2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride (CAS: 754240-09-0) in synthesis?
Alternative reagents and synthesis methods include using isosteres or analogs like 2-(4-piperidinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one. These can serve as effective substitutes due to similar functional groups and reactivity profiles.

What is the market or research trend for 2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride (CAS: 754240-09-0)?
The market trend is driven by increasing research interest in novel bioactive compounds and pharmaceuticals. Recent studies highlight its potential in medicinal chemistry and drug discovery. Price trends fluctuate with demand and supply, but research focus is expanding its applications in targeted drug delivery systems.

How should waste containing 2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride (CAS: 754240-09-0) be handled?
Waste should be collected in appropriate containers, labeled with hazard symbols, and disposed of by incineration or through professional waste disposal services. Ensure compliance with local environmental regulations and maintain detailed records of disposal procedures to minimize environmental impact and ensure safety.

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2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride — HePeng （ ShangHai ） Biotechnology Co Ltd

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2-(4-Morpholinylmethyl)-5-[(5-{[7-(trifluoromethyl)-4-quinolinyl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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