1-Butanone,1-(4-hydroxyphenyl)-2-phenyl结构式
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常用名 | 1-Butanone,1-(4-hydroxyphenyl)-2-phenyl | 英文名 | 1-Butanone,1-(4-hydroxyphenyl)-2-phenyl |
|---|---|---|---|---|
| CAS号 | 6966-21-8 | 分子量 | 240.29700 | |
| 密度 | 1.123g/cm3 | 沸点 | 410.8ºC at 760mmHg | |
| 分子式 | C16H16O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 175.4ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 1-(4-hydroxyphenyl)-2-phenylbutan-1-one |
|---|
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.123g/cm3 |
|---|---|
| 沸点 | 410.8ºC at 760mmHg |
| 分子式 | C16H16O2 |
| 分子量 | 240.29700 |
| 闪点 | 175.4ºC |
| 精确质量 | 240.11500 |
| PSA | 37.30000 |
| LogP | 3.76870 |
| InChIKey | YOUWVLSTAZVPHM-UHFFFAOYSA-N |
| SMILES | CCC(C(=O)c1ccc(O)cc1)c1ccccc1 |
| 折射率 | 1.587 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~77%
1-Butanone,1-(4... 6966-21-8 |
| 文献:SMITHKLINE BEECHAM CORPORATION Patent: WO2005/33056 A2, 2005 ; Location in patent: Page/Page column 32; 40-43 ; WO 2005/033056 A2 |
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~%
1-Butanone,1-(4... 6966-21-8 |
| 文献:Imperial Chemical Industries, Ltd. Patent: BE637389 , 1964 ; Chem.Abstr., 1965 , vol. 62, # 10373 |
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~81%
1-Butanone,1-(4... 6966-21-8 |
| 文献:Rao, K. V. B.; Iyer, R. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 1 p. 54 - 58 |
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~%
1-Butanone,1-(4... 6966-21-8 |
| 文献:Rao, K. V. B.; Iyer, R. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 1 p. 54 - 58 |
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~%
1-Butanone,1-(4... 6966-21-8 |
| 文献:Rao, K. V. B.; Iyer, R. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 1 p. 54 - 58 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 1-Butanone,1-(4-hydroxyphenyl)-2-phenyl上游产品 5 | |
|---|---|
| 1-Butanone,1-(4-hydroxyphenyl)-2-phenyl下游产品 1 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 6966-21-8的InChIKey是什么? |
| A: 6966-21-8InChIKey为YOUWVLSTAZVPHM-UHFFFAOYSA-N。 |
| Q: 6966-21-8的中文名称是什么? |
| A: 6966-21-8的中文名称为6966-21-8。 |
| Q: 6966-21-8的分子式是什么? |
| A: 6966-21-8分子式为C16H16O2。 |
| Q: 6966-21-8的SMILES表达式是什么? |
| A: 6966-21-8SMILES表达式为CCC(C(=O)c1ccc(O)cc1)c1ccccc1。 |
| Q: 6966-21-8的CAS号是多少? |
| A: 6966-21-8CAS号为6966-21-8。 |
| Q: 6966-21-8的上游原料有哪些? |
| A: 6966-21-8相关上游原料(CAS):100-66-3;90-27-7;78423-10-6;70354-03-9;2491-32-9。 |
| Q: 6966-21-8的LogP(油水分配系数)是多少? |
| A: 6966-21-8LogP(油水分配系数)为3.76870。 |
| Q: 6966-21-8的沸点是多少? |
| A: 6966-21-8沸点为410.8ºC at 760mmHg。 |
| Q: 6966-21-8的极性表面积PSA是多少? |
| A: 6966-21-8极性表面积PSA为37.30000。 |
| Q: 6966-21-8的分子量是多少? |
| A: 6966-21-8分子量为240.29700。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
| 上海阿拉丁生化科技股份有限公司 |
| 上海化源世纪贸易有限公司 |