4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid structure

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid

概要:4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid(CAS 1177786-09-2)是一种化学化合物,分子式为C23H22N2O6S2,分子量为486.09 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。

4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]butanoic acid

又称:4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid, AB00686454-01, F1734-0035, 4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid, 4-[10-(4-hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]butanoic acid

CAS: 1177786-09-2
分子式 C23H22N2O6S2
分子量 486.09 g/mol
LogP 2.4801
拓扑极性表面积 127.77 Ų
氢键供体数 3
氢键受体数 7
可旋转键数 5
精确质量 486.09192
重原子数 33
复杂度 1220.285

化学标识符

CAS 编号 1177786-09-2
SMILES C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=C(C=C6)O)SC(=O)N5

产品概述

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid(CAS 1177786-09-2),分子式为C23H22N2O6S2,分子量为486.09 g/mol。IUPAC名:4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]butanoic acid

🧪
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 →

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid化学性质概览

XLogP(分配系数)
2.4801
TPSA(拓扑极性表面积)
127.77
氢键供体数
3
氢键受体数
7
可旋转键数
5
重原子数
33
复杂度
1220.285
精确质量
486.09192
单同位素质量
486.09192
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:4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的XLogP值为2.4801,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127.77 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,4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid有3个氢键供体和7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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常见问题

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的CAS号是多少?

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的CAS号为1177786-09-2。

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的分子式是什么?

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的分子式为C23H22N2O6S2。

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的分子量是多少?

4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的分子量为486.09 g/mol。

在哪里可以购买4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?

您可以直接向科弘生物询价4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid。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4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid的定制合成服务?

是的,科弘生物提供4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid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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