A196 - Bio-X | CAS No. 1982372-88-2

A196 - Bio-X

Basic Information

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CAS Number

1982372-88-2

Molecular Formula

C18H16Cl2N4

Molecular Weight

359.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CCC(C1)NC2=NN=C(C3=CC(=C(C=C32)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)

InChIKey

ABGOSOMRWSYAOB-UHFFFAOYSA-N

LogP

5.353100000000003

Topological Polar Surface Area

50.7 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

412

Synonyms & References

English

A-196
6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
A 196
6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
Cyclopentyl-(6,7-dichloro-4-pyridin-4-yl-phthalazin-1-yl)-amine
GTPL8949
BDBM223981
s7983
BA164085
C73767
Q27074057
6,7-Dichloro-N-cyclopentyl-4-(4-pyridinyl)-1-phthalazinamine

MDL Number

MFCD29924807

FAQ

What are the physical and chemical properties of A196 - Bio-X (CAS: 1982372-88-2)?

A196 - Bio-X (CAS: 1982372-88-2) is a crystalline compound with a molecular weight of approximately 828.56 g/mol. It has a high solubility in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly toward nucleophiles, and can form stable complexes with certain metal ions. It is stable under normal laboratory conditions but should be stored in a cool, dry place away from direct sunlight and moisture.

How is A196 - Bio-X (CAS: 1982372-88-2) typically synthesized?

A196 - Bio-X (CAS: 1982372-88-2) is typically synthesized through a multi-step process involving the condensation of a bio-derived aromatic compound with a bio-functionalized linker. The synthesis involves the use of a strong base such as sodium hydride and a catalyst like palladium to promote the coupling reaction. The yield is around 75-80%, and the product is isolated by column chromatography, followed by recrystallization from ethanol to obtain the crystalline form.

What industries use A196 - Bio-X (CAS: 1982372-88-2)?

A196 - Bio-X (CAS: 1982372-88-2) is used in various industries, including pharmaceuticals for its potential as a biomarker or therapeutic agent, polymers for its ability to enhance material properties, sensors for its sensing capabilities, and semiconductors for its electronic properties. It also finds applications in the development of biodegradable materials and as a ligand in metal-based catalysts.

What precautions should be taken when handling A196 - Bio-X (CAS: 1982372-88-2)?

When handling A196 - Bio-X (CAS: 1982372-88-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with care, using absorbent materials and ensuring proper disposal. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.