4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid

Basic Information

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CAS Number

1235865-77-6

Molecular Formula

C33H35ClN4O3

Molecular Weight

571.12 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (3.2E-4 g/L) (25 ºC),

SMILES

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CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)O)C

InChI

InChI=1S/C33H35ClN4O3/c1-33(2)11-9-24(29(19-33)22-3-5-25(34)6-4-22)21-37-13-15-38(16-14-37)26-7-8-28(32(39)40)30(18-26)41-27-17-23-10-12-35-31(23)36-20-27/h3-8,10,12,17-18,20H,9,11,13-16,19,21H2,1-2H3,(H,35,36)(H,39,40)

InChIKey

DMRMYQUGHOAQFW-UHFFFAOYSA-N

LogP

7.492700000000006

Topological Polar Surface Area

81.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

943

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

4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)Benzoic acid
2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid
BCP09745
SB18336
AK204475
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-{1H-py
4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyr

MDL Number

MFCD28129979

FAQ

What is 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6)?

It is a complex organic compound with a molecular structure that includes a benzene ring, a piperazine ring, and a pyrrolo[2,3-b]pyridine moiety. This compound has a molecular weight of approximately 558.9 g/mol and exhibits hydrophobic and aromatic properties.

What are the main uses of 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6)?

This compound is primarily used in the pharmaceutical industry as an intermediate or active pharmaceutical ingredient in the development of new medications. It may also have potential applications in research and development for various biological and chemical studies.

Is 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6) safe?

The safety of this compound depends on proper handling and use. It is generally safe when used under appropriate conditions, but exposure to skin or inhalation may cause irritation. Protective measures, such as wearing gloves and goggles, are recommended when handling this compound.

How should 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6) be stored?

It should be stored in a cool, dry place away from direct sunlight and moisture. Store the compound in a tightly sealed container to prevent degradation. Maintain a temperature below 25°C to ensure stability and prevent unwanted reactions.

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4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid | CAS No. 1235865-77-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6)?

What are the main uses of 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6)?

Is 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6) safe?

How should 4-(4-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid (CAS: 1235865-77-6) be stored?

Related Compounds

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