ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate structure

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate

概要:ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate(CAS 590351-88-5)是一种化学化合物,分子式为C24H23FN2O2S2,分子量为454.12 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。

ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate

又称:ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate, ethyl 2-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate, ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate, ethyl 2-{[(6-fluoro-2-methyl(1,2,3,4-tetrahydroquinolyl))thioxomethyl]amino}-5 -phenylthiophene-3-carboxylate

CAS: 590351-88-5
分子式 C24H23FN2O2S2
分子量 454.12 g/mol
LogP 6.269
拓扑极性表面积 41.57 Ų
氢键供体数 1
氢键受体数 4
可旋转键数 4
精确质量 454.1185
重原子数 31
复杂度 1114.022

化学标识符

CAS 编号 590351-88-5
SMILES CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C

产品概述

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate(CAS 590351-88-5),分子式为C24H23FN2O2S2,分子量为454.12 g/mol。IUPAC名:ethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate

🧪
安全数据表(MSDS / SDS) 在PubChem上查看实验室化学品安全摘要(LCSS)——包含GHS分类、危险说明、急救措施和操作注意事项。
查看MSDS →

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate化学性质概览

XLogP(分配系数)
6.269
TPSA(拓扑极性表面积)
41.57
氢键供体数
1
氢键受体数
4
可旋转键数
4
重原子数
31
复杂度
1114.022
精确质量
454.1185
单同位素质量
454.1185
数据来源: 化学性质数据引用自 PubChem,由美国国家医学图书馆(NLM)下属的国家生物技术信息中心(NCBI)维护的全球最大开放化学数据库。

属性洞察:ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的XLogP值为6.269,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。 ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的拓扑极性表面积(TPSA)为41.57 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate有1个氢键供体和4个氢键受体,可能需要考虑配方优化。

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常见问题

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的CAS号是多少?

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的CAS号为590351-88-5。

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的分子式是什么?

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的分子式为C24H23FN2O2S2。

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的分子量是多少?

ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的分子量为454.12 g/mol。

在哪里可以购买ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate?

您可以直接向科弘生物询价ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-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 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate的定制合成服务?

是的,科弘生物提供ethyl 2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-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。

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