6-(4-Cyano-biphenyl-4'-yloxy)hexyl acrylate

Inquiry

Molecular Formula:

C22H23NO3

Molecular Weight:

349.42

CAS Number:

89823-23-4

Catalog Number:

89823-23-4

Product Information

Molecular Formula:

C22H23NO3

Molecular Weight:

349.42

Description

6-(4-Cyano-biphenyl-4'-yloxy)hexyl acrylate is a widely used biomedical chemical ingredient. As an emerging class of unique enzyme inhibitors, it shows extraordinary potential in halting cancer growth. Notably, this compound exhibits significant affinity for the precise receptors and pathways responsible for malignant tumor progression and spread, demonstrating its extraordinary ability as an anticancer agent in multiple oncological settings.

Synonyms

4'-[(6-Acryloyloxy)hexyloxy]-4-biphenylcarbonitrile; 6-[(4'-Cyano-[1,1'-biphenyl]-4-yl)oxy]hexyl Acrylate; Acrylic Acid 6-[(4'-Cyano-[1,1'-biphenyl]-4-yl)oxy]hexyl Ester

IUPAC Name

6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate

Canonical SMILES

C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H23NO3/c1-2-22(24)26-16-6-4-3-5-15-25-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h2,7-14H,1,3-6,15-16H2

InChI Key

IGHSOWSFSFGPAZ-UHFFFAOYSA-N

Melting Point

71 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P333+P313:
If skin irritation or a rash occurs:
Get medical advice/attention.

Computed Properties

XLogP3

5.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

349.16779360 g/mol

Monoisotopic Mass

349.16779360 g/mol

Topological Polar Surface Area

59.3Å²

Heavy Atom Count

Formal Charge

Complexity

465

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-112936849-A	Preparation method and application of crystalline dynamic pattern based on photocuring molding	2020-10-16
JP-2021142647-A	Manufacturing method of uneven structure	2020-03-10
WO-2020152206-A1	Liquid-crystalline medium	2019-01-25
TW-202037713-A	Liquid-crystalline medium	2019-01-25
CN-109265713-A	Method for constructing single domain liquid crystal elastomer by liquid crystal polymer modified nano particles	2018-09-29
CN-109265713-B	Method for constructing single-domain liquid crystal elastomer by liquid crystal polymer modified nano particles	2018-09-29
WO-2019142480-A1	Temperature detection ink, temperature detection ink initialization method, temperature indicator, and article management system	2018-01-22
WO-2019142485-A1	Temperature detection label and article management device using same	2018-01-22
EP-3745105-A1	Temperature detection label and article management device using same	2018-01-22
EP-3745106-A1	Temperature detection ink, temperature detection ink initialization method, temperature indicator, and article management system	2018-01-22

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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