5-methyl-5-naphthalen-2-yl-oxolan-2-one结构式
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常用名 | 5-methyl-5-naphthalen-2-yl-oxolan-2-one | 英文名 | 5-methyl-5-naphthalen-2-yl-oxolan-2-one |
|---|---|---|---|---|
| CAS号 | 21053-55-4 | 分子量 | 226.27000 | |
| 密度 | 1.172g/cm3 | 沸点 | 423.2ºC at 760 mmHg | |
| 分子式 | C15H14O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 178.8ºC |
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 | 5-methyl-5-naphthalen-2-yloxolan-2-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 | 1.172g/cm3 |
|---|---|
| 沸点 | 423.2ºC at 760 mmHg |
| 分子式 | C15H14O2 |
| 分子量 | 226.27000 |
| 闪点 | 178.8ºC |
| 精确质量 | 226.09900 |
| PSA | 26.30000 |
| LogP | 3.39200 |
| InChIKey | RPEAXJCKWAGUGS-UHFFFAOYSA-N |
| SMILES | CC1(c2ccc3ccccc3c2)CCC(=O)O1 |
| 蒸汽压 | 2.28E-07mmHg at 25°C |
| 折射率 | 1.611 |
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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5-methyl-5-naph... 21053-55-4 |
| 文献:Johnson; Johnson; Petersen Journal of the American Chemical Society, 1945 , vol. 67, p. 1360,1364 |
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5-methyl-5-naph... 21053-55-4 |
| 文献:Robinson; Slater Journal of the Chemical Society, 1941 , p. 376,380 |
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5-methyl-5-naph... 21053-55-4 |
| 文献:Robinson; Slater Journal of the Chemical Society, 1941 , p. 376,380 |
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。
| 5-methyl-5-naphthalen-2-yl-oxolan-2-one上游产品 6 | |
|---|---|
| 5-methyl-5-naphthalen-2-yl-oxolan-2-one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: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:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
来源:24386
靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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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:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
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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: 21053-55-4的分子式是什么? |
| A: 21053-55-4分子式为C15H14O2。 |
| Q: 21053-55-4的极性表面积PSA是多少? |
| A: 21053-55-4极性表面积PSA为26.30000。 |
| Q: 21053-55-4的CAS号是多少? |
| A: 21053-55-4CAS号为21053-55-4。 |
| Q: 21053-55-4的上游原料有哪些? |
| A: 21053-55-4相关上游原料(CAS):93-08-3;123-25-1;1590-21-2;75-16-1;21473-01-8;539-88-8。 |
| Q: 21053-55-4的沸点是多少? |
| A: 21053-55-4沸点为423.2ºC at 760 mmHg。 |
| Q: 21053-55-4的SMILES表达式是什么? |
| A: 21053-55-4SMILES表达式为CC1(c2ccc3ccccc3c2)CCC(=O)O1。 |
| Q: 21053-55-4的英文名称是什么? |
| A: 21053-55-4英文名称为5-methyl-5-naphthalen-2-yloxolan-2-one。 |
| Q: 21053-55-4的LogP(油水分配系数)是多少? |
| A: 21053-55-4LogP(油水分配系数)为3.39200。 |
| Q: 21053-55-4的分子量是多少? |
| A: 21053-55-4分子量为226.27000。 |
| Q: 21053-55-4的中文名称是什么? |
| A: 21053-55-4的中文名称为21053-55-4。 |