ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
概要：ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate（CAS 168279-56-9）是一种化学化合物，分子式为C14H18O3S2，分子量为298.07 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 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
又称：ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate, Ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, Ethyl 6,6-dimethyl-3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate, ethyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate, 4,5,6,7-Tetrahydro-3-methylthio-6,6-dimethyl-4-oxobenzo[c]thiophene-1-carboxylic acid ethyl ester
| 分子式 | C14H18O3S2 |
|---|---|
| 分子量 | 298.07 g/mol |
| LogP | 3.9 |
| 拓扑极性表面积 | 96.9 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 4 |
| 精确质量 | 298.06973 |
| 重原子数 | 19 |
| 复杂度 | 381.0 |
化学标识符
| CAS 编号 | 168279-56-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC)(C)C |
| InChIKey | ALOYSIPFMHLTHJ-UHFFFAOYSA-N |
产品概述
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate（CAS 168279-56-9），分子式为C14H18O3S2，分子量为298.07 g/mol。IUPAC名：ethyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate。
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate化学性质概览
属性洞察：ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的XLogP值为3.9，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96.9 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 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate有0个氢键供体和5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 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的CAS号是多少？
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的CAS号为168279-56-9。
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的分子式是什么？
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的分子式为C14H18O3S2。
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的分子量是多少？
ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的分子量为298.07 g/mol。
在哪里可以购买ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate？
您可以直接向科弘生物询价ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-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ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate的定制合成服务？
是的，科弘生物提供ethyl 6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-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。