IWR-1 | CAS No. 1127442-82-3

IWR-1

Basic Information

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CAS Number

1127442-82-3

Molecular Formula

C25H19N3O3

Molecular Weight

409.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Solubility

Insuluble (5.3E-6 g/L) (25 ºC),

SMILES

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O=C1N(c2ccc(cc2)C(=O)Nc2cccc3c2nccc3)C(=O)C2C1C1C=CC2C1

InChI

InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)

InChIKey

ZGSXEXBYLJIOGF-UHFFFAOYSA-N

LogP

3.798600000000002

Topological Polar Surface Area

79.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

772

Synonyms & References

English

IWR-1
IWR-1-endo
endo-IWR 1
IWP-1-endo
IWR-1 endo (IWR-1-endo, endo IWR-1 )
IWR1
IWR1-endo
ChemDiv1_005302
Oprea1_443063
Oprea1_037138
HMS602A22
4-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-quinolin-8-ylbenzamide

MDL Number

MFCD18086875

FAQ

What are the physical and chemical properties of IWR-1 (CAS: 1127442-82-3)?

IWR-1 (CAS: 1127442-82-3) is a crystalline compound with a molecular weight of approximately 318.3 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is known for its stability in the absence of strong oxidizing or reducing agents. Its reactivity is moderate, showing limited reactivity with common functional groups.

How is IWR-1 (CAS: 1127442-82-3) typically synthesized?

IWR-1 (CAS: 1127442-82-3) can be synthesized through a multi-step process involving the condensation of two specific functional groups, typically carried out under mild conditions. The reaction involves the use of a catalyst, such as a base, to promote the formation of the desired product with good selectivity and yield.

What industries use IWR-1 (CAS: 1127442-82-3)?

IWR-1 (CAS: 1127442-82-3) is primarily used in pharmaceuticals for its anti-inflammatory and analgesic properties. It also finds applications in polymer science for its ability to enhance material properties. Additionally, it is used in sensor technology for its sensitivity to certain chemical environments and in semiconductor manufacturing for its reactivity with specific surfaces.

What precautions should be taken when handling IWR-1 (CAS: 1127442-82-3)?

When handling IWR-1 (CAS: 1127442-82-3), it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and laboratory coats. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.