(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one
概要:(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one(CAS 578734-54-0)是一种化学化合物,分子式为C24H24ClN3O2S,分子量为453.13 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。
(5E)-1-butan-2-yl-5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
又称:(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one, (5E)-1-butan-2-yl-5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(sec-butyl)-5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| 分子式 | C24H24ClN3O2S |
|---|---|
| 分子量 | 453.13 g/mol |
| LogP | 4.3279 |
| 拓扑极性表面积 | 52.65 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 453.12778 |
| 重原子数 | 31 |
| 复杂度 | 1097.982 |
化学标识符
| CAS 编号 | 578734-54-0 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=CC3=C(C=C2)N(CC3)CC4=CC=CC=C4Cl)/C(=O)NC1=S |
产品概述
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one(CAS 578734-54-0),分子式为C24H24ClN3O2S,分子量为453.13 g/mol。IUPAC名:(5E)-1-butan-2-yl-5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione。
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one化学性质概览
属性洞察:(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的XLogP值为4.3279,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。 (5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的拓扑极性表面积(TPSA)为52.65 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one有1个氢键供体和4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
常见问题
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的CAS号是多少?
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的CAS号为578734-54-0。
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的分子式是什么?
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的分子式为C24H24ClN3O2S。
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的分子量是多少?
(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的分子量为453.13 g/mol。
在哪里可以购买(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one?
您可以直接向科弘生物询价(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one。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(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one的定制合成服务?
是的,科弘生物提供(5E)-3-(butan-2-yl)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-thioxo-2,5-dihydropyrimidin-4(3H)-one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。