Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate
概要:Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate(CAS 680215-96-7)是一种化学化合物,分子式为C18H23FN2O5S,分子量为398.13 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
methyl 8-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]octanoate
又称:methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate, Methyl 8-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]octanoate, METHYL 8-(3-([(4-FLUOROPHENYL)SULFONYL]METHYL)-1,2,4-OXADIAZOL-5-YL)OCTANOATE, methyl 8-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}octanoate
| 分子式 | C18H23FN2O5S |
|---|---|
| 分子量 | 398.13 g/mol |
| LogP | 3.2387 |
| 拓扑极性表面积 | 99.36 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 7 |
| 可旋转键数 | 11 |
| 精确质量 | 398.13116 |
| 重原子数 | 27 |
| 复杂度 | 833.69183 |
化学标识符
| CAS 编号 | 680215-96-7 |
|---|---|
| SMILES | COC(=O)CCCCCCCC1=NC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)F |
产品概述
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate(CAS 680215-96-7),分子式为C18H23FN2O5S,分子量为398.13 g/mol。IUPAC名:methyl 8-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]octanoate。
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate化学性质概览
属性洞察:Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的XLogP值为3.2387,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 TPSA为99.36 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate有0个氢键供体和7个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的CAS号是多少?
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的CAS号为680215-96-7。
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的分子式是什么?
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的分子式为C18H23FN2O5S。
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的分子量是多少?
Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate的分子量为398.13 g/mol。
在哪里可以购买Methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate?
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