(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate
概要:(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate(CAS 380434-78-6)是一种化学化合物,分子式为C26H23N3O5S,分子量为489.14 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 4-[5-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
又称:(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate, F1305-0031, ethyl 4-(5-{2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-cyanoeth-1-en-1-yl}furan-2-yl)benzoate, ethyl 4-[5-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate, ethyl 4-(5-{(1E)-2-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))ca rbamoyl]-2-cyanovinyl}-2-furyl)benzoate
| 分子式 | C26H23N3O5S |
|---|---|
| 分子量 | 489.14 g/mol |
| LogP | 4.70818 |
| 拓扑极性表面积 | 135.42 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 7 |
| 可旋转键数 | 7 |
| 精确质量 | 489.13583 |
| 重原子数 | 35 |
| 复杂度 | 1358.5145 |
化学标识符
| CAS 编号 | 380434-78-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N |
产品概述
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate(CAS 380434-78-6),分子式为C26H23N3O5S,分子量为489.14 g/mol。IUPAC名:ethyl 4-[5-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate。
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate化学性质概览
属性洞察:(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的XLogP值为4.70818,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135.42 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 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate有2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
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的CAS号是多少?
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的CAS号为380434-78-6。
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的分子式是什么?
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的分子式为C26H23N3O5S。
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的分子量是多少?
(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的分子量为489.14 g/mol。
在哪里可以购买(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate?
您可以直接向科弘生物询价(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-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(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate的定制合成服务?
是的,科弘生物提供(E)-ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-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。