4,4'-Propane-2,2-diyldi(2,6-2H2)phenol
Modify Date: 2025-09-22 20:13:52
4,4'-Propane-2,2-diyldi(2,6-2H2)phenol structure
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Common Name | 4,4'-Propane-2,2-diyldi(2,6-2H2)phenol | ||
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| CAS Number | 102438-62-0 | Molecular Weight | 232.311 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 400.8±25.0 °C at 760 mmHg | |
| Molecular Formula | C15H12D4O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 192.4±17.8 °C | |
Use of 4,4'-Propane-2,2-diyldi(2,6-2H2)phenolBisphenol A-d4 is the deuterium labeled Bisphenol A[1]. Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[2][3]. |
| Name | bisphenol-a-2,2',6,6'-d4 |
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| Synonym | More Synonyms |
| Description | Bisphenol A-d4 is the deuterium labeled Bisphenol A[1]. Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[2][3]. |
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| Related Catalog | |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 400.8±25.0 °C at 760 mmHg |
| Molecular Formula | C15H12D4O2 |
| Molecular Weight | 232.311 |
| Flash Point | 192.4±17.8 °C |
| Exact Mass | 232.140137 |
| PSA | 40.46000 |
| LogP | 3.43 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.599 |
| InChIKey | IISBACLAFKSPIT-LNFUJOGGSA-N |
| SMILES | CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 |
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Name: Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated fo...
Source: ChEMBL
Target: Casein kinase I isoform epsilon
External Id: CHEMBL5251364
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Name: Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for ...
Source: ChEMBL
Target: Cyclin-dependent kinase 5
External Id: CHEMBL5251363
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|
Name: Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 m...
Source: ChEMBL
Target: Dual specificity protein kinase CLK2
External Id: CHEMBL5251366
|
|
Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
|
|
Name: Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 m...
Source: ChEMBL
Target: Dual specificity protein kinase CLK1
External Id: CHEMBL5251365
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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|
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
|
|
Name: Cytotoxicity against mouse HT-22 cells assessed as reduction in cell viability incuba...
Source: ChEMBL
Target: HT-22
External Id: CHEMBL5251390
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| 4,4'-(2,2-Propanediyl)di(2,6-H)phenol |
| 4,4'-Propane-2,2-diyldi(2,6-H)phenol |