3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
概要：3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one（CAS 346612-35-9）是一种化学化合物，分子式为C21H19ClN4O4S2，分子量为490.05 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。
5-[(4-chlorophenyl)-(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
又称：3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-[(4-chlorophenyl)-(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one, 5-{(4-chlorophenyl)[4,6-dihydroxy-1-(prop-2-en-1-yl)-2-thioxo-1,2-dihydropyrimidin-5-yl]methyl}-6-hydroxy-3-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4(3H)-one
| 分子式 | C21H19ClN4O4S2 |
|---|---|
| 分子量 | 490.05 g/mol |
| LogP | 3.74198 |
| 拓扑极性表面积 | 116.04 Ų |
| 氢键供体数 | 4 |
| 氢键受体数 | 6 |
| 可旋转键数 | 7 |
| 精确质量 | 490.05362 |
| 重原子数 | 32 |
| 复杂度 | 1347.1146 |
化学标识符
| CAS 编号 | 346612-35-9 |
|---|---|
| SMILES | C=CCN1C(=C(C(=O)NC1=S)C(C2=CC=C(C=C2)Cl)C3=C(N(C(=S)NC3=O)CC=C)O)O |
产品概述
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one（CAS 346612-35-9），分子式为C21H19ClN4O4S2，分子量为490.05 g/mol。IUPAC名：5-[(4-chlorophenyl)-(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one。
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one化学性质概览
属性洞察：3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的XLogP值为3.74198，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116.04 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，3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one有4个氢键供体和6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
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的CAS号是多少？
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的CAS号为346612-35-9。
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的分子式是什么？
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的分子式为C21H19ClN4O4S2。
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的分子量是多少？
3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的分子量为490.05 g/mol。
在哪里可以购买3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one？
您可以直接向科弘生物询价3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-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3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one的定制合成服务？
是的，科弘生物提供3-allyl-5-((1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-chlorophenyl)methyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-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。