methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate
概要:methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate(CAS 338420-88-5)是一种化学化合物,分子式为C14H16N2O2S,分子量为276.09 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 3-methyl-2-[(4-methylphenyl)methylsulfanyl]imidazole-4-carboxylate
又称:methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate, methyl 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-imidazole-5-carboxylate, Methyl 1-methyl-2-((4-methylbenzyl)sulfanyl)-1H-imidazole-5-carboxylate, methyl 3-methyl-2-[(4-methylphenyl)methylsulfanyl]imidazole-4-carboxylate, methyl 3-methyl-2-(p-tolylmethylsulfanyl)imidazole-4-carboxylate
| 分子式 | C14H16N2O2S |
|---|---|
| 分子量 | 276.09 g/mol |
| LogP | 2.80742 |
| 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 | 276.09326 |
| 重原子数 | 19 |
| 复杂度 | 575.63196 |
化学标识符
| CAS 编号 | 338420-88-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC=C(N2C)C(=O)OC |
产品概述
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate(CAS 338420-88-5),分子式为C14H16N2O2S,分子量为276.09 g/mol。IUPAC名:methyl 3-methyl-2-[(4-methylphenyl)methylsulfanyl]imidazole-4-carboxylate。
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate化学性质概览
属性洞察:methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的XLogP值为2.80742,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate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,methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate有0个氢键供体和4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 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的CAS号是多少?
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的CAS号为338420-88-5。
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的分子式是什么?
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的分子式为C14H16N2O2S。
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的分子量是多少?
methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate的分子量为276.09 g/mol。
在哪里可以购买methyl 1-methyl-2-[(4-methylbenzyl)sulfanyl]-1H-imidazole-5-carboxylate?
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