(4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate结构式
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常用名 | (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate | 英文名 | (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate |
|---|---|---|---|---|
| CAS号 | 57998-99-9 | 分子量 | 274.31200 | |
| 密度 | 1.139g/cm3 | 沸点 | 402.7ºC at 760 mmHg | |
| 分子式 | C16H18O4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 200.5ºC |
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 | (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate |
|---|---|
| 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 | 1.139g/cm3 |
|---|---|
| 沸点 | 402.7ºC at 760 mmHg |
| 分子式 | C16H18O4 |
| 分子量 | 274.31200 |
| 闪点 | 200.5ºC |
| 精确质量 | 274.12100 |
| PSA | 52.60000 |
| LogP | 2.97220 |
| InChIKey | SEGUKPAFTPETCX-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccc(OC(C)=O)c2c1CC(C)=C(C)C2 |
| 折射率 | 1.533 |
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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(4-acetyloxy-6,... 57998-99-9 |
| 文献:Lora-Tamayo; Leon Journal of the Chemical Society, 1948 , p. 1499 |
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(4-acetyloxy-6,... 57998-99-9 |
| 文献:Lora-Tamayo; Leon Journal of the Chemical Society, 1948 , p. 1499 |
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(4-acetyloxy-6,... 57998-99-9 |
| 文献:Lora-Tamayo; Leon Journal of the Chemical Society, 1948 , p. 1499 |
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~%
(4-acetyloxy-6,... 57998-99-9 |
| 文献:Rodriguez, Jose Gonzalo; Pablo, Alfonso de; Lerma, Julian Lopez de; Perales, Aurea Journal of Crystallographic and Spectroscopic Research, 1989 , vol. 19, # 2 p. 307 - 316 |
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(4-acetyloxy-6,... 57998-99-9 |
| 文献:Lora-Tamayo; Leon Journal of the Chemical Society, 1948 , p. 1499 |
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 4 | |
|---|---|
| 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: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: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: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: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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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。
| HMS2884P21 |
| 6,7-dimethyl-5,8-dihydronaphthalene-1,4-diyl diacetate |
| 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene |
| 5,8-Diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalin |
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: 57998-99-9的中文名称是什么? |
| A: 57998-99-9的中文名称为57998-99-9。 |
| Q: 57998-99-9的极性表面积PSA是多少? |
| A: 57998-99-9极性表面积PSA为52.60000。 |
| Q: 57998-99-9有哪些英文别名? |
| A: 57998-99-9英文别名有:HMS2884P21、 6,7-dimethyl-5,8-dihydronaphthalene-1,4-diyl diacetate、 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene、 5,8-Diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalin。 |
| Q: 57998-99-9的分子量是多少? |
| A: 57998-99-9分子量为274.31200。 |
| Q: 57998-99-9的LogP(油水分配系数)是多少? |
| A: 57998-99-9LogP(油水分配系数)为2.97220。 |
| Q: 57998-99-9的上游原料有哪些? |
| A: 57998-99-9相关上游原料(CAS):513-81-5;106-51-4;35774-01-7;108-24-7。 |
| Q: 57998-99-9的InChIKey是什么? |
| A: 57998-99-9InChIKey为SEGUKPAFTPETCX-UHFFFAOYSA-N。 |
| Q: 57998-99-9的CAS号是多少? |
| A: 57998-99-9CAS号为57998-99-9。 |
| Q: 57998-99-9的沸点是多少? |
| A: 57998-99-9沸点为402.7ºC at 760 mmHg。 |
| Q: 57998-99-9的SMILES表达式是什么? |
| A: 57998-99-9SMILES表达式为CC(=O)Oc1ccc(OC(C)=O)c2c1CC(C)=C(C)C2。 |