77-40-7 | 2,2-Bis(4-hydroxyphenyl)butane

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$25.00	$17.00
5g	97%	in stock	$28.00	$19.00
10g	97%	in stock	$39.00	$27.00
25g	97%	in stock	$69.00	$48.00
100g	97%	in stock	$201.00	$141.00

Description

• Catalog Number: AB54137
• Chemical Name: 2,2-Bis(4-hydroxyphenyl)butane
• CAS Number: 77-40-7
• Molecular Formula: C16H18O2
• Molecular Weight: 242.31292
• MDL Number: MFCD00020179
• SMILES: CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
• NSC Number: 1775

Computed Properties

• Complexity: 226
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 3.9

Literature

• Bisphenol A and its analogs bisphenol B, bisphenol F, and bisphenol S: Comparative in vitro and in vivo studies on the sperms and testicular tissues of rats.

  Chemosphere 20181001

• Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

  Toxicology in vitro : an international journal published in association with BIBRA 20180201

• Bisphenol AF and Bisphenol B Exert Higher Estrogenic Effects than Bisphenol A via G Protein-Coupled Estrogen Receptor Pathway.

  Environmental science & technology 20171003

• Editor's Highlight: Transcriptome Profiling Reveals Bisphenol A Alternatives Activate Estrogen Receptor Alpha in Human Breast Cancer Cells.

  Toxicological sciences : an official journal of the Society of Toxicology 20170801

• Parallel assessment of the effects of bisphenol A and several of its analogs on the adult human testis.

  Human reproduction (Oxford, England) 20170701

• Thyroid hormone disrupting potentials of bisphenol A and its analogues - in vitro comparison study employing rat pituitary (GH3) and thyroid follicular (FRTL-5) cells.

  Toxicology in vitro : an international journal published in association with BIBRA 20170401

• In vitro and in silico assessment of the structure-dependent binding of bisphenol analogues to glucocorticoid receptor.

  Analytical and bioanalytical chemistry 20170301

• Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships.

  Chemosphere 20161101

• In vivo and in silico analyses of estrogenic potential of bisphenol analogs in medaka (Oryzias latipes) and common carp (Cyprinus carpio).

  Ecotoxicology and environmental safety 20151001

• Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.

  Toxicological sciences : an official journal of the Society of Toxicology 20150201

• Defining estrogenic mechanisms of bisphenol A analogs through high throughput microscopy-based contextual assays.

  Chemistry & biology 20140619

• Are structural analogues to bisphenol a safe alternatives?

  Toxicological sciences : an official journal of the Society of Toxicology 20140501

• Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway.

  Scientific reports 20140101

• Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays.

  Chemical research in toxicology 20130617

• Determination of bisphenol A and bisphenol B in canned seafood combining QuEChERS extraction with dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry.

  Analytical and bioanalytical chemistry 20121101

• Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure.

  Environmental science & technology 20120821

• Effects of some endocrine disruptors on cell cycle progression and murine dendritic cell differentiation.

  General and comparative endocrinology 20120801

• Bisphenol A and its analogues activate human pregnane X receptor.

  Environmental health perspectives 20120301

• Biodegradation of bisphenols with immobilized laccase or tyrosinase on polyacrylonitrile beads.

  Biodegradation 20110601

• High content imaging-based assay to classify estrogen receptor-α ligands based on defined mechanistic outcomes.

  Gene 20110515

• Simultaneous determination of bisphenol A and bisphenol B in beverages and powdered infant formula by dispersive liquid-liquid micro-extraction and heart-cutting multidimensional gas chromatography-mass spectrometry.

  Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110401

• Measurement of bisphenol A and bisphenol B levels in human blood sera from healthy and endometriotic women.

  Biomedical chromatography : BMC 20091101

• Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater.

  Bioscience, biotechnology, and biochemistry 20070101

• Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

  Journal of molecular graphics & modelling 20061101

• Biodegradation of a variety of bisphenols under aerobic and anaerobic conditions.

  Water science and technology : a journal of the International Association on Water Pollution Research 20060101

• Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

  Journal of medicinal chemistry 20050908

• Potent estrogenic metabolites of bisphenol A and bisphenol B formed by rat liver S9 fraction: their structures and estrogenic potency.

  Toxicological sciences : an official journal of the Society of Toxicology 20040301

• Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.

  Toxicology 20030201

• Comparison of reporter gene assay and immature rat uterotrophic assay of twenty-three chemicals.

  Toxicology 20020115