Phenol,2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)结构式
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常用名 | Phenol,2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl) | 英文名 | Phenol,2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl) |
|---|---|---|---|---|
| CAS号 | 6956-41-8 | 分子量 | 314.38000 | |
| 密度 | 1.224g/cm3 | 沸点 | 485.1ºC at 760mmHg | |
| 分子式 | C21H18N2O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 247.2ºC |
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 | (6Z)-6-(1,5-diphenylpyrazolidin-3-ylidene)cyclohexa-2,4-dien-1-one |
|---|---|
| 英文别名 | 更多 |
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 | 1.224g/cm3 |
|---|---|
| 沸点 | 485.1ºC at 760mmHg |
| 分子式 | C21H18N2O |
| 分子量 | 314.38000 |
| 闪点 | 247.2ºC |
| 精确质量 | 314.14200 |
| PSA | 35.83000 |
| LogP | 4.24850 |
| InChIKey | SGFFIDOKYSINHW-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1C1=NN(c2ccccc2)C(c2ccccc2)C1 |
| 折射率 | 1.655 |
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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~89%
Phenol,2-(4,5-d... 6956-41-8 |
| 文献:Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan Organic and Biomolecular Chemistry, 2014 , vol. 12, # 13 p. 2028 - 2032 |
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~88%
Phenol,2-(4,5-d... 6956-41-8 |
| 文献:Al-Bogami, Abdullah S.; Alkhathlan, Hamad Z.; Saleh, Tamer S. Asian Journal of Chemistry, 2013 , vol. 25, # 11 p. 6427 - 6433 |
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~70%
Phenol,2-(4,5-d... 6956-41-8 |
| 文献:Joshi, M. G.; Wadodkar, K. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 12 p. 1090 - 1092 |
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~70%
Phenol,2-(4,5-d... 6956-41-8 |
| 文献:Agrawal, Nitin N.; Soni Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 12 p. 2700 - 2701 |
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~58%
Phenol,2-(4,5-d... 6956-41-8 |
| 文献:Joshi, M. G.; Wadodkar, K. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 12 p. 1090 - 1092 |
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。
| 上游产品 6 | |
|---|---|
| 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: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:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_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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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 3-(2'-hydroxyphenyl)-1,5-diphenyl-2-pyrazoline |
| 2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenol |
| 3-(2-hydroxyphenyl)-1,5-diphenyl-4,5-dihydropyrazole |
| 3-(2-hydroxyphenyl)-1,5-diphenylpyrazoline |
| 3-o-hydroxyphenyl-1,5-diphenylpyrazoline |
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: 6956-41-8有哪些英文别名? |
| A: 6956-41-8英文别名有:3-(2'-hydroxyphenyl)-1,5-diphenyl-2-pyrazoline、 2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenol、 3-(2-hydroxyphenyl)-1,5-diphenyl-4,5-dihydropyrazole、 3-(2-hydroxyphenyl)-1,5-diphenylpyrazoline、 3-o-hydroxyphenyl-1,5-diphenylpyrazoline。 |
| Q: 6956-41-8的极性表面积PSA是多少? |
| A: 6956-41-8极性表面积PSA为35.83000。 |
| Q: 6956-41-8的InChIKey是什么? |
| A: 6956-41-8InChIKey为SGFFIDOKYSINHW-UHFFFAOYSA-N。 |
| Q: 6956-41-8的下游产品有哪些? |
| A: 6956-41-8相关下游产品(CAS):19726-10-4。 |
| Q: 6956-41-8的分子量是多少? |
| A: 6956-41-8分子量为314.38000。 |
| Q: 6956-41-8的上游原料有哪些? |
| A: 6956-41-8相关上游原料(CAS):109365-86-8;100-63-0;1214-47-7;39729-11-8;59-88-1;888-12-0。 |
| Q: 6956-41-8的SMILES表达式是什么? |
| A: 6956-41-8SMILES表达式为Oc1ccccc1C1=NN(c2ccccc2)C(c2ccccc2)C1。 |
| Q: 6956-41-8的沸点是多少? |
| A: 6956-41-8沸点为485.1ºC at 760mmHg。 |
| Q: 6956-41-8的中文名称是什么? |
| A: 6956-41-8的中文名称为6956-41-8。 |
| Q: 6956-41-8的LogP(油水分配系数)是多少? |
| A: 6956-41-8LogP(油水分配系数)为4.24850。 |