Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester) structure

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)

概要:Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)(CAS 31915-71-6)是一种化学化合物,分子式为C20H21ClN2O8,分子量为452.10 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-acetamido-4-(acetyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate

又称:Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester), 2-(acetylamino)-9-[(acetyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate, [2-acetamido-4-(acetyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate, Acetic acid, chloro-,2-(acetylamino)-9-[(acetyloxy)methyl]-2,3,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo[1,2-a]indol-1-ylester (9CI), N-{9-[(Acetyloxy)methyl]-1-[(chloroacetyl)oxy]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl}ethanimidato

CAS: 31915-71-6
分子式 C20H21ClN2O8
分子量 452.10 g/mol
LogP 1.8
拓扑极性表面积 130.0 Ų
氢键供体数 1
氢键受体数 8
可旋转键数 8
精确质量 452.09863
重原子数 31
复杂度 856.0

化学标识符

CAS 编号 31915-71-6
SMILES CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)C)OC(=O)CCl)NC(=O)C)OC
InChIKey RGHXHKALVZRSIA-UHFFFAOYSA-N

产品概述

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)(CAS 31915-71-6),分子式为C20H21ClN2O8,分子量为452.10 g/mol。IUPAC名:[2-acetamido-4-(acetyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate

🧪
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 →

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)化学性质概览

XLogP(分配系数)
1.8
TPSA(拓扑极性表面积)
130.0
氢键供体数
1
氢键受体数
8
可旋转键数
8
重原子数
31
复杂度
856.0
精确质量
452.09863
单同位素质量
452.09863
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:Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的XLogP值为1.8,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为130.0 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,Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)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。

常见问题

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每批出货均附带COA(分析证书)、MSDS(安全数据表)和技术数据单。
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常见问题

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的CAS号是多少?

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的CAS号为31915-71-6。

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的分子式是什么?

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的分子式为C20H21ClN2O8。

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的分子量是多少?

Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的分子量为452.10 g/mol。

在哪里可以购买Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)?

您可以直接向科弘生物询价Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)。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Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)的定制合成服务?

是的,科弘生物提供Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide acetate (ester)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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