[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate
概要:[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate(CAS 851128-08-0)是一种化学化合物,分子式为C22H23BrN2O2S,分子量为458.07 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。
[1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-yl] 4-bromobenzoate
又称:F0569-0776, 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 4-bromobenzoate, 1-(tert-butyl)-3-methyl-4-(p-tolylthio)-1H-pyrazol-5-yl 4-bromobenzoate, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate, [5-methyl-4-(4-methylphenyl)sulfanyl-2-tert-butyl-pyrazol-3-yl] 4-bromobenzoate
| 分子式 | C22H23BrN2O2S |
|---|---|
| 分子量 | 458.07 g/mol |
| LogP | 6.38784 |
| 拓扑极性表面积 | 44.12 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 458.06635 |
| 重原子数 | 28 |
| 复杂度 | 987.1165 |
化学标识符
| CAS 编号 | 851128-08-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)Br |
产品概述
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate(CAS 851128-08-0),分子式为C22H23BrN2O2S,分子量为458.07 g/mol。IUPAC名:[1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-yl] 4-bromobenzoate。
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate化学性质概览
属性洞察:[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的XLogP值为6.38784,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。 [2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的拓扑极性表面积(TPSA)为44.12 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate有0个氢键供体和4个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的CAS号是多少?
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的CAS号为851128-08-0。
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的分子式是什么?
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的分子式为C22H23BrN2O2S。
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的分子量是多少?
[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的分子量为458.07 g/mol。
在哪里可以购买[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate?
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科弘生物是否提供[2-Tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-bromobenzoate的定制合成服务?
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