2-(3-氯苯基)-4H-异喹啉-1,3-二酮结构式
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常用名 | 2-(3-氯苯基)-4H-异喹啉-1,3-二酮 | 英文名 | 2-(3-CHLORO-PHENYL)-4H-ISOQUINOLINE-1,3-DIONE |
|---|---|---|---|---|
| CAS号 | 22367-12-0 | 分子量 | 271.69800 | |
| 密度 | 1.383g/cm3 | 沸点 | 475.6ºC at 760mmHg | |
| 分子式 | C15H10ClNO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 241.4ºC |
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。
| 中文名 | 2-(3-氯苯基)-4H-异喹啉-1,3-二酮 |
|---|---|
| 英文名 | 2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione |
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 | 1.383g/cm3 |
|---|---|
| 沸点 | 475.6ºC at 760mmHg |
| 分子式 | C15H10ClNO2 |
| 分子量 | 271.69800 |
| 闪点 | 241.4ºC |
| 精确质量 | 271.04000 |
| PSA | 37.38000 |
| LogP | 3.13450 |
| InChIKey | YILPTMFWSYOSGN-UHFFFAOYSA-N |
| SMILES | O=C1Cc2ccccc2C(=O)N1c1cccc(Cl)c1 |
| 蒸汽压 | 3.27E-09mmHg at 25°C |
| 折射率 | 1.649 |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2933499090 |
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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。
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2933499090 |
|---|---|
| 中文概述 | 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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: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:Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Meas...
来源:Broad Institute
靶标:FGF22 human recombinant
External Id:7012-04_Inhibitor_Dose_CherryPick_Activity
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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:HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Base...
来源:Broad Institute
靶标:Hsf1 protein
External Id:2038-03_Inhibitor_Dose_CherryPick_Activity_Set4
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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: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的分子量是多少? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮分子量为271.69800。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的CAS号是多少? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮CAS号为22367-12-0。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的InChIKey是什么? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮InChIKey为YILPTMFWSYOSGN-UHFFFAOYSA-N。 |
| Q: 22367-12-0的中文名称是什么? |
| A: 22367-12-0的中文名称为2-(3-氯苯基)-4H-异喹啉-1,3-二酮。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的英文名称是什么? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮英文名称为2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的SMILES表达式是什么? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮SMILES表达式为O=C1Cc2ccccc2C(=O)N1c1cccc(Cl)c1。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的极性表面积PSA是多少? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮极性表面积PSA为37.38000。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的分子式是什么? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮分子式为C15H10ClNO2。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的LogP(油水分配系数)是多少? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮LogP(油水分配系数)为3.13450。 |
| Q: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮的沸点是多少? |
| A: 2-(3-氯苯基)-4H-异喹啉-1,3-二酮沸点为475.6ºC at 760mmHg。 |