1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式
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常用名 | 1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl | 英文名 | 1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl |
|---|---|---|---|---|
| CAS号 | 79887-80-2 | 分子量 | 384.89600 | |
| 密度 | 1.24g/cm3 | 沸点 | 512.6ºC at 760 mmHg | |
| 分子式 | C23H25ClO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 178.6ºC |
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 | 9-(2-chlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione |
|---|---|
| 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 | 1.24g/cm3 |
|---|---|
| 沸点 | 512.6ºC at 760 mmHg |
| 分子式 | C23H25ClO3 |
| 分子量 | 384.89600 |
| 闪点 | 178.6ºC |
| 精确质量 | 384.14900 |
| PSA | 43.37000 |
| LogP | 5.74020 |
| InChIKey | RGUZZJWWYDIHNL-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl |
| 折射率 | 1.593 |
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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~95%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Shirini, Frahad; Abedini, Masoumeh; Pourhasan, Reyhaneh Dyes and Pigments, 2013 , vol. 99, # 1 p. 250 - 255 |
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~80%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Bigdeli, Mohammad A.; Sheikhhosseini, Enayatollah; Habibi, Azizollah; Balalaieb, Saeed Heterocycles, 2011 , vol. 83, # 1 p. 107 - 116 |
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~0%
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| 文献:Sethukumar; Chandy, Millet M.; Arul Prakasam; Pallepogu, Raghavaiah Structural Chemistry, 2011 , vol. 22, # 3 p. 671 - 680 |
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~%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82 |
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~%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82 |
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~%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82 |
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~%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Han, Guang-Fan; Cui, Bin; Chen, Li-Zhuang; Hu, Xiao-Lei Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 1 p. 195 - 199 |
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~92%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Kumar, Dhruva; Suresh; Sandhu, Jagir S. Synthetic Communications, 2013 , vol. 43, # 20 p. 2739 - 2747 |
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~%
1H-Xanthene-1,8... 79887-80-2 |
| 文献:Vorlaender Fresenius' Zeitschrift fuer Analytische Chemie, 1929 , vol. 77, p. 266 |
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 7 | |
|---|---|
| 下游产品 0 | |
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: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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH 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。
| hms1554o14 |
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: 79887-80-2的分子量是多少? |
| A: 79887-80-2分子量为384.89600。 |
| Q: 79887-80-2的InChIKey是什么? |
| A: 79887-80-2InChIKey为RGUZZJWWYDIHNL-UHFFFAOYSA-N。 |
| Q: 79887-80-2有哪些英文别名? |
| A: 79887-80-2英文别名有:hms1554o14。 |
| Q: 79887-80-2的沸点是多少? |
| A: 79887-80-2沸点为512.6ºC at 760 mmHg。 |
| Q: 79887-80-2的CAS号是多少? |
| A: 79887-80-2CAS号为79887-80-2。 |
| Q: 79887-80-2的分子式是什么? |
| A: 79887-80-2分子式为C23H25ClO3。 |
| Q: 79887-80-2的上游原料有哪些? |
| A: 79887-80-2相关上游原料(CAS):89-98-5;126-81-8;57270-78-7;135-19-3;139484-02-9;141-79-7;35427-95-3。 |
| Q: 79887-80-2的LogP(油水分配系数)是多少? |
| A: 79887-80-2LogP(油水分配系数)为5.74020。 |
| Q: 79887-80-2的极性表面积PSA是多少? |
| A: 79887-80-2极性表面积PSA为43.37000。 |
| Q: 79887-80-2的英文名称是什么? |
| A: 79887-80-2英文名称为9-(2-chlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione。 |