N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
概要:N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide(CAS 512825-70-6)是一种化学化合物,分子式为C28H33N5O3S,分子量为519.23 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-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
又称:N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzamide
| 分子式 | C28H33N5O3S |
|---|---|
| 分子量 | 519.23 g/mol |
| LogP | 6.86132 |
| 拓扑极性表面积 | 113.85 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 5 |
| 精确质量 | 519.2304 |
| 重原子数 | 37 |
| 复杂度 | 1334.2683 |
化学标识符
| CAS 编号 | 512825-70-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C#N)C)[N+](=O)[O-] |
产品概述
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide(CAS 512825-70-6),分子式为C28H33N5O3S,分子量为519.23 g/mol。IUPAC名:N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide。
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide化学性质概览
属性洞察:N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的XLogP值为6.86132,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113.85 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,N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide有1个氢键供体和6个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的CAS号是多少?
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的CAS号为512825-70-6。
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的分子式是什么?
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的分子式为C28H33N5O3S。
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的分子量是多少?
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的分子量为519.23 g/mol。
在哪里可以购买N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide?
您可以直接向科弘生物询价N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide。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N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide的定制合成服务?
是的,科弘生物提供N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide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。