6-(4-Cyano-biphenyl-4'-yloxy)hexyl acrylate
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
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.
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.
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
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
11
Exact Mass
349.16779360 g/mol
Monoisotopic Mass
349.16779360 g/mol
Topological Polar Surface Area
59.3Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
465
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
