13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
概要:13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile(CAS 443332-35-2)是一种化学化合物,分子式为C29H35N5,分子量为453.29 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。
1-[4-(1-adamantyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
又称:13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 1-(4-((3s,5s,7s)-adamantan-1-yl)piperazin-1-yl)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1092-0207, 1-[4-(1-adamantyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-(1-ADAMANTYL)PIPERAZINO]-2-ETHYL-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE
| 分子式 | C29H35N5 |
|---|---|
| 分子量 | 453.29 g/mol |
| LogP | 5.3208 |
| 拓扑极性表面积 | 47.57 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 453.28925 |
| 重原子数 | 34 |
| 复杂度 | 1284.7368 |
化学标识符
| CAS 编号 | 443332-35-2 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6 |
产品概述
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile(CAS 443332-35-2),分子式为C29H35N5,分子量为453.29 g/mol。IUPAC名:1-[4-(1-adamantyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile。
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile化学性质概览
属性洞察:13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的XLogP值为5.3208,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。 13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的拓扑极性表面积(TPSA)为47.57 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile有0个氢键供体和4个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的CAS号是多少?
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的CAS号为443332-35-2。
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的分子式是什么?
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的分子式为C29H35N5。
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的分子量是多少?
13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的分子量为453.29 g/mol。
在哪里可以购买13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile?
您可以直接向科弘生物询价13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile。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13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile的定制合成服务?
是的,科弘生物提供13-[4-(adamantan-1-yl)piperazin-1-yl]-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile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。