2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one
概要:2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one(CAS 923912-73-6)是一种化学化合物,分子式为C22H31N5OS,分子量为413.22 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-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
又称:2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one, 2-(4-cyclopropyl-5-methyl(1,2,4-triazol-3-ylthio))-1-(4-{[4-(methylethyl)pheny l]methyl}piperazinyl)ethan-1-one, 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
| 分子式 | C22H31N5OS |
|---|---|
| 分子量 | 413.22 g/mol |
| LogP | 3.48132 |
| 拓扑极性表面积 | 54.26 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 7 |
| 精确质量 | 413.22495 |
| 重原子数 | 29 |
| 复杂度 | 835.3876 |
化学标识符
| CAS 编号 | 923912-73-6 |
|---|---|
| SMILES | CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(C)C |
产品概述
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one(CAS 923912-73-6),分子式为C22H31N5OS,分子量为413.22 g/mol。IUPAC名:2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone。
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one化学性质概览
属性洞察:2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的XLogP值为3.48132,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。 2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的拓扑极性表面积(TPSA)为54.26 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one有0个氢键供体和5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
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的CAS号是多少?
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的CAS号为923912-73-6。
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的分子式是什么?
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的分子式为C22H31N5OS。
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的分子量是多少?
2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的分子量为413.22 g/mol。
在哪里可以购买2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one?
您可以直接向科弘生物询价2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-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2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one的定制合成服务?
是的,科弘生物提供2-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-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。