7-ethoxy-2H-chromen-2-one

• ChemBase编号: 75528
• 分子式: C11H10O3
• 平均质量: 190.1953
• 单一同位素质量: 190.06299418
• SMILES: o1c(=O)ccc2c1cc(cc2)OCC
• Canonical SMILES: CCOc1cc2oc(=O)ccc2cc1
• InChI: InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
• InChIKey: LIFAQMGORKPVDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-ethoxy-2H-chromen-2-one
• IUPAC传统名: 7-ethoxycoumarin
• 别名: 7-乙氧基香豆素; Ethylumbelliferone; 7-Ethoxycoumarin; 7-Ethoxy-1-benzopyran-2-one; 7-Ethoxycoumarin

登记号

• CAS号: 31005-02-4
• EC号: 250-429-4
• MDL号: MFCD00006877
• Beilstein号: 146200
• PubChem SID: 24894404; 162040446
• PubChem CID: 35703

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.9824963
• LogD (pH = 7.4): 1.9824963
• Log P: 1.9824963
• 摩尔折射率: 52.7604 cm^3
• 极化性: 20.058218 Å^3
• 极化表面积: 35.53 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

• 熔点: 88-90 °C(lit.); 88-91°C; 90-92°C
• 荧光: λex 323 nm; λem 386 nm

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 99%; 99.5%
• Empirical Formula (Hill Notation): C11H10O3

详细说明

MP Biomedicals - 02195171

Crystalline
Substrate for fluorometric assay of microsomal monooxygenase activity.

MP Biomedicals - 05214921

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E1379

Biochem/physiol Actions
Substrate for CYP2B6
包装
1 g in glass bottle
25, 100, 500 mg in glass bottle

Sigma Aldrich - 195642

Application
Excellent substrate for a rapid, sensitive, fluorometric assay of microsomal monooxygenase activity.1,2
Biochem/physiol Actions
Substrate for CYP2B6
包装
1 g in glass bottle
100 mg in glass bottle

Toronto Research Chemicals - E891725

A substrate for cytochrome CYP2B6.

参考文献

• Kabumoto, H., et al.: Biosci., Biotechnol., Biochem., 73, 1922 (2009)
• Maresca, A., et al.: J. Med. Chem., 53, 335 (2009)
• Si-Ahmed, K., et al.: J. Pharm. Biomed. Anal., 51, 225 (2009)