2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Basic Information

View in Editor

CAS Number

838818-26-1

Molecular Formula

C29H23N5O3S

Molecular Weight

521.6 g/mol

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

Physical State

white to beige

Boiling Point

783.1±70.0 °C(Predicted)

Density

1.37±0.1 g/cm3(Predicted)

Solubility

DMSO: soluble10mg/mL, clear (warmed)

SMILES

View in Editor

COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6

InChI

InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3

InChIKey

RNUXIZKXJOGYQP-UHFFFAOYSA-N

LogP

5.269500000000005

pKa

1.70±0.10(Predicted)

Topological Polar Surface Area

90.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

803

Safety Information

View Safety Information

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

WIKI4
2-[3-[[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
WIKI
2-(3-((4-(4-Methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]iso
1H-?Benz[de]?isoquinoline-?1,?3(2H)?-?dione, 2-?[3-?[[4-?(4-?methoxyphenyl)?-?5-?(4-?pyridinyl)?-?4H-?1,?2,?4-?triazol-?3-?yl]?thio]?propyl]?-
CS-2099
CS-1491
2-(3-(4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
WIN 18446
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-
WIKI-4
2-[3-[[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-1Hbenz[de]isoquinoline-1,3(2H)-dione
2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
C29H23N5O3S
2-(3-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3-((4-(4-Methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
4bfp
CBKinase1_012189
CBKinase1_024589
WIKI 4; WIKI-4
AOB4208
SYN5246
HMS3653D09
BCP15357
CID 2984337

MDL Number

MFCD05885187

FAQ

What regulatory guidelines apply to 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1)?

Regulatory guidelines for 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1) include GHS classification for chemical hazards, REACH regulations for European Union market access, and FDA/EPA requirements for safety and environmental protection. Users should consult the latest regulations and guidelines for specific handling and disposal procedures.

Are there alternatives to 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1) in synthesis?

There are alternative reagents and synthetic routes available for 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1), such as 4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazole and other sulfur-containing compounds. These alternatives can be used depending on the specific needs and conditions of the synthesis.

What is the market or research trend for 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1)?

The market trend for 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1) shows increasing interest in its use for medicinal and pharmaceutical applications due to its unique chemical structure. Research trends focus on understanding its pharmacological properties and potential in drug development.

How should waste containing 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1) be handled?

Waste containing 2-(3-{[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS: 838818-26-1) should be collected in appropriate containers, ensuring it is free from contamination. Proper incineration or professional waste disposal services should be utilized. Users should follow local and national regulations and guidelines for safe disposal, including environmental protection precautions and waste management procedures.