(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide
概要:(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide(CAS 487031-03-8)是一种化学化合物,分子式为C22H27N3OS2,分子量为413.16 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。
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]adamantane-1-carboxamide
又称:(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide, N-(1-ADAMANTYLCARBONYL)-N'-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA, N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]adamantane-1-carboxamide, N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| 分子式 | C22H27N3OS2 |
|---|---|
| 分子量 | 413.16 g/mol |
| LogP | 4.77398 |
| 拓扑极性表面积 | 64.92 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 413.15955 |
| 重原子数 | 28 |
| 复杂度 | 845.79425 |
化学标识符
| CAS 编号 | 487031-03-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4 |
产品概述
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide(CAS 487031-03-8),分子式为C22H27N3OS2,分子量为413.16 g/mol。IUPAC名:N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]adamantane-1-carboxamide。
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide化学性质概览
属性洞察:(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的XLogP值为4.77398,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64.92 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,(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide有2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
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的CAS号是多少?
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的CAS号为487031-03-8。
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的分子式是什么?
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的分子式为C22H27N3OS2。
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的分子量是多少?
(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的分子量为413.16 g/mol。
在哪里可以购买(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide?
您可以直接向科弘生物询价(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide。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(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide的定制合成服务?
是的,科弘生物提供(3r,5r,7r)-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)adamantane-1-carboxamide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。