![(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate structure](/static/products/497/497868-39-0.png)
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate
概要：(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate（CAS 497868-39-0）是一种化学化合物，分子式为C21H20F3N3O3S，分子量为451.12 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 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate
又称：(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate, METHYL 2-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-(2-PHENYLACETAMIDO)PROPANOATE, methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate, methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(phenylacetyl)amino]alaninate
| 分子式 | C21H20F3N3O3S |
|---|---|
| 分子量 | 451.12 g/mol |
| LogP | 3.70098 |
| 拓扑极性表面积 | 91.22 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 6 |
| 可旋转键数 | 6 |
| 精确质量 | 451.11774 |
| 重原子数 | 31 |
| 复杂度 | 1014.6029 |
化学标识符
| CAS 编号 | 497868-39-0 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)CC3=CC=CC=C3 |
产品概述
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate（CAS 497868-39-0），分子式为C21H20F3N3O3S，分子量为451.12 g/mol。IUPAC名：methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate。
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate化学性质概览
属性洞察：(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的XLogP值为3.70098，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91.22 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，(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate有2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
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的CAS号是多少？
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的CAS号为497868-39-0。
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的分子式是什么？
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的分子式为C21H20F3N3O3S。
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的分子量是多少？
(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的分子量为451.12 g/mol。
在哪里可以购买(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate？
您可以直接向科弘生物询价(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate。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(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate的定制合成服务？
是的，科弘生物提供(S)-methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate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。