17α-乙炔基雌二醇 100μg/mL in Acetonitrile
Ethynyl estradiol
品牌:桔子
产品编号:B45748
CAS号:57-63-6
分子式:C20H24O2
分子量:296.4
MDL:MFCD00003690
| 产品名称 : | 17α-乙炔基雌二醇 |
|---|---|
| 英文名称 : | Ethynyl estradiol |
| 参考名称 : | (8R,9S,13S,14S,17R)-17-乙炔基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢-6H-环戊二烯并[a]菲-3,17-二醇 |
| 参考英文名称 : | (8R,9S,13S,14S,17R)-17-Ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| CAS号 : | 57-63-6 |
| 分子式 : | C20H24O2 |
| 分子量 : | 296.4 |
| SMILES : | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| MDL NO : | MFCD00003690 |
| PubChem CID : | 5991 |
| InChIKey : | BFPYWIDHMRZLRN-SLHNCBLASA-N |
| 储存条件 : | -20℃ |
实验性质
| 外观 / 形态 : | Ethinylestradiol is a fine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive.;Solid |
|---|---|
| 颜色 / 形态 : | Fine, white to creamy white crystalline powder |
| 熔点 : | 142-146 °C. May also exist in a polymorphic modification with mp 180-186 °C;183 °C;288 to 295 °F (NTP, 1992) |
| 溶解性 : | Solubility: 1 part in 6 of ethanol, 1 in 4 of ether, 1 in 5 of acetone, 1 in 4 of dioxane, and 1 in 20 of chloroform. Soluble in vegetable oils, and in solutions of fixed alkali hydroxides.;Soluble in solutions of sodium hydroxide or potassium hydroxide;In double-distilled water, 4.83 mg/L;In water, 11.3 mg/L at 27 °C |
| LogP : | 3.67;log Kow = 3.67 |
| 热分解说明 : | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 气味 : | Odorless |
| 旋光性 : | Fine needles from methanol and water, mp 141-146 °C. Specific optical rotation: 1 deg at 25 °C/D (dioxane). Dehydrates after melting and further heating /Ethinyl estradiol hemihydrate/;Specific optical rotation: 3.5 deg at 24 °C/D (c = 2 in dioxane); -29.5 deg at 24 °C/D (c = 2 in pyridine);Slightly dextrorotatory in dioxane solution |
计算性质
| LogP : | 3.7 |
|---|---|
| 极性表面积 (TPSA) : | 40.5 Ų |
| 氢键供体数 : | 2 |
| 氢键受体数 : | 2 |
| 可旋转键数 : | 1 |
| 精确质量 : | 296.177630004 Da |
| 重原子数 : | 22 |
| 分子复杂度 : | 505 |
资料来源:17α-乙炔基雌二醇产品资料页;来源页标注 PubChem CID 5991,资料日期 2026-10-11。
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