(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
概要:(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(CAS 489425-37-8)是一种化学化合物,分子式为C21H22N2O4S,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。
ethyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
又称:(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1589-1148, ETHYL 2-[(2E)-2-CYANO-3-(5-METHYLFURAN-2-YL)PROP-2-ENAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(5-methyl(2-furyl))prop-2-enoylamino]-6-methyl-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate
| 分子式 | C21H22N2O4S |
|---|---|
| 分子量 | 398.13 g/mol |
| LogP | 4.4967 |
| 拓扑极性表面积 | 92.33 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 5 |
| 精确质量 | 398.13004 |
| 重原子数 | 28 |
| 复杂度 | 977.183 |
化学标识符
| CAS 编号 | 489425-37-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=C(O3)C)/C#N |
产品概述
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(CAS 489425-37-8),分子式为C21H22N2O4S,分子量为398.13 g/mol。IUPAC名:ethyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate。
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate化学性质概览
属性洞察:(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的XLogP值为4.4967,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92.33 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,(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate有1个氢键供体和6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
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的CAS号是多少?
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的CAS号为489425-37-8。
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子式是什么?
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子式为C21H22N2O4S。
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子量是多少?
(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子量为398.13 g/mol。
在哪里可以购买(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
您可以直接向科弘生物询价(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-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(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的定制合成服务?
是的,科弘生物提供(E)-ethyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-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。