4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester结构式
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常用名 | 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester | 英文名 | 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester |
|---|---|---|---|---|
| CAS号 | 6345-73-9 | 分子量 | 324.32700 | |
| 密度 | 1.277g/cm3 | 沸点 | 482.4ºC at 760 mmHg | |
| 分子式 | C19H16O5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 265.7ºC |
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 | ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate |
|---|---|
| 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 | 1.277g/cm3 |
|---|---|
| 沸点 | 482.4ºC at 760 mmHg |
| 分子式 | C19H16O5 |
| 分子量 | 324.32700 |
| 闪点 | 265.7ºC |
| 精确质量 | 324.10000 |
| PSA | 65.74000 |
| LogP | 3.54870 |
| InChIKey | PSQHTAURXSIPJF-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1 |
| 折射率 | 1.596 |
本表汇总该化学品毒理试验数据、急性慢性毒性以及环境生态危害相关参数。
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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4H-1-Benzopyran... 6345-73-9 |
| 文献:Jacobson et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1117,1121 |
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4H-1-Benzopyran... 6345-73-9 |
| 文献:Jacobson et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1117,1121 |
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4H-1-Benzopyran... 6345-73-9 |
| 文献:Naylor et al. Journal of the Chemical Society, 1958 , p. 1190,1192 |
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 3 | |
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| 下游产品 4 | |
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: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: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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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。
| 7-(benzyloxy)-4-methyl-2H-chromen-2-one |
| 7-Benzyloxy-4-methyl-chromen-2-one |
| 7-Benzyloxy-4-oxo-4H-chromen-2-carbonsaeure-aethylester |
| 7-Benzyloxy-4-methyl-cumarin |
| 7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester |
| 7-benzyloxy-4-methyl-coumarin |
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: 6345-73-9的中文名称是什么? |
| A: 6345-73-9的中文名称为6345-73-9。 |
| Q: 6345-73-9的上游原料有哪些? |
| A: 6345-73-9相关上游原料(CAS):860189-36-2;29682-12-0;64-17-5。 |
| Q: 6345-73-9的下游产品有哪些? |
| A: 6345-73-9相关下游产品(CAS):30113-83-8;76240-27-2;57052-72-9;59887-89-7。 |
| Q: 6345-73-9的英文名称是什么? |
| A: 6345-73-9英文名称为ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate。 |
| Q: 6345-73-9有哪些英文别名? |
| A: 6345-73-9英文别名有:7-(benzyloxy)-4-methyl-2H-chromen-2-one、 7-Benzyloxy-4-methyl-chromen-2-one、 7-Benzyloxy-4-oxo-4H-chromen-2-carbonsaeure-aethylester、 7-Benzyloxy-4-methyl-cumarin、 7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester、 7-benzyloxy-4-methyl-coumarin。 |
| Q: 6345-73-9的InChIKey是什么? |
| A: 6345-73-9InChIKey为PSQHTAURXSIPJF-UHFFFAOYSA-N。 |
| Q: 6345-73-9的分子量是多少? |
| A: 6345-73-9分子量为324.32700。 |
| Q: 6345-73-9的SMILES表达式是什么? |
| A: 6345-73-9SMILES表达式为CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1。 |
| Q: 6345-73-9的LogP(油水分配系数)是多少? |
| A: 6345-73-9LogP(油水分配系数)为3.54870。 |
| Q: 6345-73-9的极性表面积PSA是多少? |
| A: 6345-73-9极性表面积PSA为65.74000。 |