2-(2-methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethan-1-one

• ChemBase编号: 172027
• 分子式: C22H25NO2
• 平均质量: 335.4394
• 单一同位素质量: 335.18852905
• SMILES: c1ccc2c(c1)n(cc2C(=O)Cc1ccccc1OC)CCCCC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1OC
• InChI: InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
• InChIKey: FFLSJIQJQKDDCM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethan-1-one
• IUPAC传统名: 2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone
• 别名: 2-(2-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone; JWH 250; 2-(2-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone

登记号

• CAS号: 864445-43-2
• MDL号: MFCD12911796
• PubChem SID: 164227937
• PubChem CID: 44397540

理论计算性质

• Acid pKa: 13.449309
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.2984676
• LogD (pH = 7.4): 5.298467
• Log P: 5.2984676
• 摩尔折射率: 102.1037 cm^3
• 极化性: 40.580322 Å^3
• 极化表面积: 31.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform
• 外观: White Solid
• 熔点: 80-82°C

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - J211500

A new class of cannabimimetic indoles. JWH 250 acts as cannabinoid receptor 2 agonist.

参考文献

• Eissenstat, M., et al.: J. Med. Chem., 38, 3094 (1995)
• Showalter, V., et al.: J. Pharmacol. Exp. Ther., 278, 989 (1995)
• Huffman, J., Bioorg. Med. Chem., 13, 89 (1995)