2-苯基-4-[3H]喹唑啉酮结构式
|
常用名 | 2-苯基-4-[3H]喹唑啉酮 | 英文名 | 2-phenylquinazolin-4-ol |
|---|---|---|---|---|
| CAS号 | 1022-45-3 | 分子量 | 222.242 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 398.2±25.0 °C at 760 mmHg | |
| 分子式 | C14H10N2O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 194.6±23.2 °C |
| 中文名 | 2-苯基-4-[3H]喹唑啉酮 |
|---|---|
| 英文名 | 2-Phenylquinazolin-4-ol |
| 中文别名 | 2-苯基喹唑啉-4-醇 | 4-羟基-2-苯基喹唑啉 | 4-羟基-2-苯基喹唑啉 | 2-苯基-3H-喹唑啉-4-酮 |
| 英文别名 | 更多 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 398.2±25.0 °C at 760 mmHg |
| 分子式 | C14H10N2O |
| 分子量 | 222.242 |
| 闪点 | 194.6±23.2 °C |
| 精确质量 | 222.079315 |
| PSA | 46.01000 |
| LogP | 2.46 |
| InChIKey | VDULOAUXSMYUMG-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c(-c2ccccc2)nc2ccccc12 |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.663 |
| 储存条件 | 室温,干燥,密封 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积:41.5 7.重原子数量:17 8.表面电荷:0 9.复杂度:331 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi |
|---|---|
| 海关编码 | 2933990090 |
| 2-苯基-4-[3H]喹唑啉酮上游产品 10 | |
|---|---|
| 2-苯基-4-[3H]喹唑啉酮下游产品 7 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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 | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
|
|
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
|
| 2-Phenyl-4(1H)-quinazolinone |
| 2-phenyl-1H-quinazolin-4-one |
| 2-phenylquinazolin-4(3H)-one |
| 2-phenyl quinazolin-4-ol |
| 2-phenylquinazolin-4-ol |