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2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | CAS No. 184177-83-1

2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

Basic Information

Chemical_Structure_Of
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CAS Number

184177-83-1

Molecular Formula

C30H35N5O3

Molecular Weight

513.64 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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

685.4°C at 760 mmHg

SMILES

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CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1

InChIKey

QLRPRKJUMRQTOV-IADCTJSHSA-N

LogP

4.622600000000005

Topological Polar Surface Area

75.75999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

766

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

  • 184177-83-1
  • 2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
  • QLRPRKJUMRQTOV-IADCTJSHSA-N
  • 3H-1,2,4-TRIAZOL-3-ONE, 2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-
  • 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
  • 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl) piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • DS-16617
  • 2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
  • AH978V32DS
  • CS-M2661
  • 2-((2S,3R)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one
  • 1-((2s,3s)-2-(benzyloxy)pentan-3-yl) -4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl) phenyl)-1h-1,2,4-triazol-5(4h)-one
  • F16787
  • MFCD18374617
  • 2-[(1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL]-2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • 2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-3H-1,2,4-TRIAZOL-3-ONE
  • BCP08707
  • 1-[(2S,3S)-2-(benzyloxy)pentan-3-yl]-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
  • 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one,
  • 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one
  • 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phen
  • AKOS015901158
  • A812840
  • J-507563
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • 2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
  • SCHEMBL3960227
  • 2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
  • EN300-345916

MDL Number

MFCD18374617

FAQ

What is 2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 184177-83-1)?
2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 184177-83-1) is a complex organic compound characterized by its triazole ring and multiple functional groups. It exhibits moderate solubility in polar solvents and is often used in pharmaceutical research due to its structural diversity and potential biological activity.

What are the main uses of 2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 184177-83-1)?
This compound is primarily used in pharmaceutical research for the development of drugs targeting neurological and inflammatory disorders. It may also find applications in chemical synthesis as a building block for more complex molecules. Its unique structure makes it relevant in the study of drug interactions and bioavailability.

Is 2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 184177-83-1) safe?
The safety of this compound depends on its specific application and exposure conditions. It is generally considered to have low acute toxicity, but proper handling is required to avoid skin and eye contact. Safety data sheets (SDS) should be consulted for detailed information on protective measures and storage requirements.

How should 2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 184177-83-1) be stored?
This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It should be kept in a sealed, inert container to prevent moisture and light exposure. Storage conditions should be maintained to ensure stability and avoid degradation over time.

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Hubei Tuopan Chemical Co., Ltd.

CAS Number: 184177-83-1

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Lianyungang Ziyansi Pharmaceutical Co., Ltd.

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Wuhan HuJiu Medicine Technology Co., Ltd.

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2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one — ShangHaiJiZhiShengHua Technology Co Ltd

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2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one — ZhengZhouChangKuan Technology Co Ltd

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