methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
概要：methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate（CAS 893698-51-6）是一种化学化合物，分子式为C32H27N3O6S2，分子量为613.13 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 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]benzoate
又称：methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]benzoate
| 分子式 | C32H27N3O6S2 |
|---|---|
| 分子量 | 613.13 g/mol |
| LogP | 5.87512 |
| 拓扑极性表面积 | 118.92 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 10 |
| 可旋转键数 | 7 |
| 精确质量 | 613.13416 |
| 重原子数 | 43 |
| 复杂度 | 1764.5978 |
化学标识符
| CAS 编号 | 893698-51-6 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC=C(C=C6)C(=O)OC)/O |
产品概述
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate（CAS 893698-51-6），分子式为C32H27N3O6S2，分子量为613.13 g/mol。IUPAC名：methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]benzoate。
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate化学性质概览
属性洞察：methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的XLogP值为5.87512，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118.92 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 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate有1个氢键供体和10个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的CAS号是多少？
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的CAS号为893698-51-6。
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的分子式是什么？
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的分子式为C32H27N3O6S2。
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的分子量是多少？
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的分子量为613.13 g/mol。
在哪里可以购买methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate？
您可以直接向科弘生物询价methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate的定制合成服务？
是的，科弘生物提供methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。