![isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/957/957489-63-3.png)
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
概要：isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate（CAS 957489-63-3）是一种化学化合物，分子式为C28H31ClN6O4S2，分子量为614.15 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。
propan-2-yl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
又称：isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(2-((5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ISOPROPYL 2-[(2-{[5-(4-CHLORO-1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, propan-2-yl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| 分子式 | C28H31ClN6O4S2 |
|---|---|
| 分子量 | 614.15 g/mol |
| LogP | 5.87452 |
| 拓扑极性表面积 | 113.16 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 9 |
| 可旋转键数 | 9 |
| 精确质量 | 614.1537 |
| 重原子数 | 41 |
| 复杂度 | 1608.9801 |
化学标识符
| CAS 编号 | 957489-63-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)Cl |
产品概述
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate（CAS 957489-63-3），分子式为C28H31ClN6O4S2，分子量为614.15 g/mol。IUPAC名：propan-2-yl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate。
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate化学性质概览
属性洞察：isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的XLogP值为5.87452，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113.16 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，isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate有1个氢键供体和9个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的CAS号是多少？
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的CAS号为957489-63-3。
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的分子式是什么？
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的分子式为C28H31ClN6O4S2。
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的分子量是多少？
isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的分子量为614.15 g/mol。
在哪里可以购买isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate？
您可以直接向科弘生物询价isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate。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isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate的定制合成服务？
是的，科弘生物提供isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate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。