methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate structure

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate

概要:methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate(CAS 1009185-29-8)是一种化学化合物,分子式为C29H41N3O4S,分子量为527.28 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-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

又称:methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[({1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

CAS: 1009185-29-8
分子式 C29H41N3O4S
分子量 527.28 g/mol
LogP 5.30454
拓扑极性表面积 82.11 Ų
氢键供体数 2
氢键受体数 7
可旋转键数 8
精确质量 527.2818
重原子数 37
复杂度 1111.1002

化学标识符

CAS 编号 1009185-29-8
SMILES CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC)O

产品概述

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate(CAS 1009185-29-8),分子式为C29H41N3O4S,分子量为527.28 g/mol。IUPAC名:methyl 2-[[2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-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 →

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate化学性质概览

XLogP(分配系数)
5.30454
TPSA(拓扑极性表面积)
82.11
氢键供体数
2
氢键受体数
7
可旋转键数
8
重原子数
37
复杂度
1111.1002
精确质量
527.2818
单同位素质量
527.2818
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-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的XLogP值为5.30454,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82.11 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-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate有2个氢键供体和7个氢键受体,可能需要考虑配方优化。

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常见问题

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的CAS号是多少?

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的CAS号为1009185-29-8。

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的分子式是什么?

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的分子式为C29H41N3O4S。

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的分子量是多少?

methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的分子量为527.28 g/mol。

在哪里可以购买methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?

您可以直接向科弘生物询价methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-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-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate的定制合成服务?

是的,科弘生物提供methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-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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