4,4'-Cyclohexylidenebisphenol

Product Information

Molecular Formula:
C18H20O2
Molecular Weight:
268.35
Description
Applications: Bisphenol Z is one of the many derivatives of Bisphenol A (B519495) that can be used as HIF (hypoxia-inducible factor) inhibitors, antitumor agents, angiogenesis inhibitors, and antihypoxic agents.
Synonyms
Bisphenol Z
IUPAC Name
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
Canonical SMILES
C1CCC(CC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
InChI Key
SDDLEVPIDBLVHC-UHFFFAOYSA-N
Boiling Point
440.9ºC at 760 mmHg
Melting Point
190-192ºC
Purity
95%
Density
1.166 g/cm3
Appearance
White powder
Storage
Room Temperature
Refractive Index
1.5490 (estimate)

Safety Information

Hazards
H361:
Suspected of damaging fertility or the unborn child.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
268.146329876 g/mol
Monoisotopic Mass
268.146329876 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
269
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-114100658-A Carbon nitride/tungsten trioxide/sulfur-doped antimony oxychloride double-Z-shaped composite photocatalyst and preparation method and application thereof 2021-11-23
CN-114057992-A Resin composition for carbon fiber molding 2021-11-02
CN-113817169-A High-temperature-resistant block polysulfate and preparation method thereof 2021-11-01
CN-113956441-A Die pressing free radical modified epoxy resin composition 2021-10-29
CN-113637153-A Multi-block polyether type high-molecular surfactant and preparation method and application thereof 2021-10-18
CN-113637154-A Nonionic polyether type high-molecular surfactant and preparation method and application thereof 2021-10-18
CN-113637155-A Anionic polyether type high-molecular surfactant and preparation method thereof 2021-10-18
JP-2022009110-A Delamination resin film, interlayer insulation resin film with adhesive auxiliary layer, and printed wiring board 2021-10-13
CN-113671794-A Positive photoresist and preparation method thereof, preparation method of glass shell and electronic equipment 2021-08-25
CN-113820932-A Negative electricity three-layer OPC drum 2021-08-20

Literatures

PMID Publication Date Title Journal
34499926 2021-11-01 Bisphenol A derivatives act as novel coactivator-binding inhibitors for estrogen receptor β The Journal of biological chemistry
34299453 2021-07-09 Study on the Joint Toxicity of BPZ, BPS, BPC and BPF to Zebrafish Molecules (Basel, Switzerland)
32387340 2020-07-15 Bisphenolic compounds alter gene expression in MCF-7 cells through interaction with estrogen receptor α Toxicology and applied pharmacology
31836225 2020-05-15 A tiered high-throughput screening approach for evaluation of estrogen and androgen receptor modulation by environmentally relevant bisphenol A substitutes The Science of the total environment
31388671 2019-11-01 Characterization of Estrogenic and Androgenic Activities for Bisphenol A-like Chemicals (BPs): In Vitro Estrogen and Androgen Receptors Transcriptional Activation, Gene Regulation, and Binding Profiles Toxicological sciences : an official journal of the Society of Toxicology
31195007 2019-08-15 Receptor-binding affinities of bisphenol A and its next-generation analogs for human nuclear receptors Toxicology and applied pharmacology
31289329 2019-07-09 Discovery of novel oestrogen receptor α agonists and antagonists by screening a revisited privileged structure moiety for nuclear receptors Scientific reports
30951782 2019-05-15 Functional profiling of bisphenols for nuclear receptors Toxicology
30639807 2019-04-01 Comparison of thyroid hormone disruption potentials by bisphenols A, S, F, and Z in embryo-larval zebrafish Chemosphere
30582956 2019-02-01 Profiling of bisphenol A and eight its analogues on transcriptional activity via human nuclear receptors Toxicology
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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