2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

概要:2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide(CAS 587853-25-6)是一种化学化合物,分子式为C27H30ClN3O3S,分子量为511.17 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。

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

又称:2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 4-(4-chloro-2-methylphenoxy)-N-{6-methyl-3-[N-(3-pyridylmethyl)carbamoyl](4,5, 6,7-tetrahydrobenzo[b]thiophen-2-yl)}butanamide

CAS: 587853-25-6
分子式 C27H30ClN3O3S
分子量 511.17 g/mol
LogP 5.95742
拓扑极性表面积 80.32 Ų
氢键供体数 2
氢键受体数 5
可旋转键数 9
精确质量 511.16965
重原子数 35
复杂度 1195.8822

化学标识符

CAS 编号 587853-25-6
SMILES CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CCCOC4=C(C=C(C=C4)Cl)C

产品概述

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide(CAS 587853-25-6),分子式为C27H30ClN3O3S,分子量为511.17 g/mol。IUPAC名:2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

🧪
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 →

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide化学性质概览

XLogP(分配系数)
5.95742
TPSA(拓扑极性表面积)
80.32
氢键供体数
2
氢键受体数
5
可旋转键数
9
重原子数
35
复杂度
1195.8822
精确质量
511.16965
单同位素质量
511.16965
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:2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的XLogP值为5.95742,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80.32 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,2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide有2个氢键供体和5个氢键受体,可能需要考虑配方优化。

常见问题

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常见问题

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的CAS号是多少?

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的CAS号为587853-25-6。

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的分子式是什么?

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的分子式为C27H30ClN3O3S。

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的分子量是多少?

2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的分子量为511.17 g/mol。

在哪里可以购买2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

您可以直接向科弘生物询价2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide。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2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide的定制合成服务?

是的,科弘生物提供2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide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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