Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate
概要:Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate(CAS 340813-19-6)是一种化学化合物,分子式为C13H14N2O4S,分子量为294.07 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-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-3-oxobutanoate
又称:ethyl 4-(3-cyano-6-hydroxy-4-methyl(2-pyridylthio))-3-oxobutanoate, Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate, ethyl 4-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-3-oxobutanoate, Ethyl 4-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]-3-oxobutanoate
| 分子式 | C13H14N2O4S |
|---|---|
| 分子量 | 294.07 g/mol |
| LogP | 0.4 |
| 拓扑极性表面积 | 122.0 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 7 |
| 精确质量 | 294.0674 |
| 重原子数 | 20 |
| 复杂度 | 554.0 |
化学标识符
| CAS 编号 | 340813-19-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=O)N1)C)C#N |
| InChIKey | WMRRNVCIDRAAMH-UHFFFAOYSA-N |
产品概述
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate(CAS 340813-19-6),分子式为C13H14N2O4S,分子量为294.07 g/mol。IUPAC名:ethyl 4-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-3-oxobutanoate。
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate化学性质概览
属性洞察:Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的XLogP值为0.4,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122.0 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,Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate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
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的CAS号是多少?
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的CAS号为340813-19-6。
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的分子式是什么?
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的分子式为C13H14N2O4S。
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的分子量是多少?
Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的分子量为294.07 g/mol。
在哪里可以购买Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate?
您可以直接向科弘生物询价Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate。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Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate的定制合成服务?
是的,科弘生物提供Ethyl 4-[(3-cyano-1,6-dihydro-4-methyl-6-oxo-2-pyridinyl)thio]-3-oxobutanoate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。