1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethan-1-ol

• ChemBase编号: 153278
• 分子式: C17H17NOS
• 平均质量: 283.38798
• 单一同位素质量: 283.10308517
• SMILES: Cc1ccc(c(c1)C)C(C)(c1nc2ccccc2s1)O
• Canonical SMILES: Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C
• InChI: InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3
• InChIKey: IGSZVEPQZANNAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethan-1-ol
• IUPAC传统名: 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
• 别名: 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol, a-(2,4-Dimethylphenyl)-a-methyl-2-benzothiazolemethanol.; AC-265347

登记号

• MDL号: MFCD20527324
• PubChem SID: 162247417
• PubChem CID: 52943938

理论计算性质

• Acid pKa: 12.433325
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.67659
• LogD (pH = 7.4): 4.676603
• Log P: 4.676607
• 摩尔折射率: 82.6262 cm^3
• 极化性: 33.07301 Å^3
• 极化表面积: 33.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: ≥19 mg/mL
• 外观: white to tan powder

安全信息

• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H17NOS

详细说明

Sigma Aldrich - SML0129

Biochem/physiol Actions
AC-265347 is a human calcium-sensing receptor (CaSR) allosteric agonist. AC-265347 activates CaSR signaling in cellular proliferation and phosphatidyl inositol (PI) hydrolysis assays.