![3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid structure](/static/products/958/958937-97-8.png)
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
概要：3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid（CAS 958937-97-8）是一种化学化合物，分子式为C25H22N4O5S，分子量为490.13 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。
3-[(1S,3R,3aR,6aS)-5-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid
又称：3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid, 3-[(1S,3R,3aR,6aS)-5-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid, 3-[(3R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid
| 分子式 | C25H22N4O5S |
|---|---|
| 分子量 | 490.13 g/mol |
| LogP | 2.28838 |
| 拓扑极性表面积 | 139.6 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 7 |
| 可旋转键数 | 4 |
| 精确质量 | 490.1311 |
| 重原子数 | 35 |
| 复杂度 | 1360.0482 |
化学标识符
| CAS 编号 | 958937-97-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@@H](N[C@]5([C@@H]4C3=O)C6=CC=CC=C6NC5=O)CCC(=O)O)C#N |
产品概述
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid（CAS 958937-97-8），分子式为C25H22N4O5S，分子量为490.13 g/mol。IUPAC名：3-[(1S,3R,3aR,6aS)-5-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid。
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid化学性质概览
属性洞察：3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的XLogP值为2.28838，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为139.6 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，3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid有3个氢键供体和7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
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的CAS号是多少？
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的CAS号为958937-97-8。
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的分子式是什么？
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的分子式为C25H22N4O5S。
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的分子量是多少？
3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的分子量为490.13 g/mol。
在哪里可以购买3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid？
您可以直接向科弘生物询价3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid。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3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid的定制合成服务？
是的，科弘生物提供3-((1'R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid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。