4'-苄氧基-2'-羟基-3'-甲基苯乙酮

• 常用名: 4'-苄氧基-2'-羟基-3'-甲基苯乙酮
• 英文名: 4'-Benzyloxy-2'-Hydroxy-3'-Methylacetophenone
• CAS号: 73640-74-1
• 分子量: 256.29600
• 密度: 1.163g/cm3
• 沸点: 422.3ºC at 760 mmHg
• 分子式: C₁₆H₁₆O₃
• 熔点: 88-90ºC(lit.)
• 闪点: 156.3ºC

名称

• 中文名: 4-苄氧基-2-羟基-3-甲基-苯乙酮
• 英文名: 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone
• 中文别名: 4-苄氧基-2-羟基-3-甲基苯乙酮 | 4'-苄氧基-2'-羟基-3'-甲基苯乙酮

物理化学性质

• 密度: 1.163g/cm3
• 沸点: 422.3ºC at 760 mmHg
• 熔点: 88-90ºC(lit.)
• 分子式: C₁₆H₁₆O₃
• 分子量: 256.29600
• 闪点: 156.3ºC
• 精确质量: 256.11000
• PSA: 46.53000
• LogP: 3.48220
• InChIKey: PWGVUHPMXRYALX-UHFFFAOYSA-N
• SMILES: CC(=O)c1ccc(OCc2ccccc2)c(C)c1O
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.587
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:9

  6.拓扑分子极性表面积46.5

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:296

  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

MSDS

MSDS英文版

安全信息

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-37/39
• WGK德国: 3
• 海关编码: 2914509090

海关

• 海关编码: 2914509090
• 中文概述: 2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
• 申报要素: 品名, 成分含量, 用途, 丙酮报明包装
• Summary: HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

靶点实验

查看更多实验

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：qHTS for Inhibitors of Plasmodium falciparum (CP250) proliferation 来源：NCGC 靶标：N/A External Id：bumalcp250

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.

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：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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英文别名

• 4'-Benzyloxy-2'-Hydroxy-3'-Methylacetophenone
• 1-[4-(Benzyloxy)-2-hydroxy-3-methylphenyl]ethanone
• MFCD00010752