Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

概要:Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(CAS 312512-58-6)是一种化学化合物,分子式为C27H28N4O3S,分子量为488.19 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。

methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

又称:Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-(2-AMINO-3-CYANO-7,7-DIMETHYL-5-OXO-4-(3-PYRIDINYL)-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 648-910-2, methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 312512-58-6
分子式 C27H28N4O3S
分子量 488.19 g/mol
LogP 4.74938
拓扑极性表面积 109.31 Ų
氢键供体数 1
氢键受体数 8
可旋转键数 3
精确质量 488.1882
重原子数 35
复杂度 1330.1223

化学标识符

CAS 编号 312512-58-6
SMILES CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C(=O)OC)N)C#N)C5=CN=CC=C5)C(=O)C1)C

产品概述

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(CAS 312512-58-6),分子式为C27H28N4O3S,分子量为488.19 g/mol。IUPAC名:methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-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。
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Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate化学性质概览

XLogP(分配系数)
4.74938
TPSA(拓扑极性表面积)
109.31
氢键供体数
1
氢键受体数
8
可旋转键数
3
重原子数
35
复杂度
1330.1223
精确质量
488.1882
单同位素质量
488.1882
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:Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的XLogP值为4.74938,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109.31 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,Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate有1个氢键供体和8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。

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常见问题

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的CAS号是多少?

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的CAS号为312512-58-6。

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子式是什么?

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子式为C27H28N4O3S。

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子量是多少?

Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的分子量为488.19 g/mol。

在哪里可以购买Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?

您可以直接向科弘生物询价Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-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Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate的定制合成服务?

是的,科弘生物提供Methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-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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