3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
概要:3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione(CAS 1005606-56-3)是一种化学化合物,分子式为C21H19F4N7S,分子量为477.14 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。
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
又称:3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione, 5-{2-[5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ETHYL}-4-[1-(2-FLUOROBENZYL)-1H-PYRAZOL-3-YL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazole-3-thiol, 5-{2-[5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]ethyl}-4-{1-[(2-fluorophenyl) methyl]pyrazol-3-yl}-1,2,4-triazole-3-thiol
| 分子式 | C21H19F4N7S |
|---|---|
| 分子量 | 477.14 g/mol |
| LogP | 4.64919 |
| 拓扑极性表面积 | 69.25 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 7 |
| 精确质量 | 477.13586 |
| 重原子数 | 33 |
| 复杂度 | 1343.0774 |
化学标识符
| CAS 编号 | 1005606-56-3 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2CCC3=NNC(=S)N3C4=NN(C=C4)CC5=CC=CC=C5F)C(F)(F)F |
产品概述
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione(CAS 1005606-56-3),分子式为C21H19F4N7S,分子量为477.14 g/mol。IUPAC名:3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione。
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione化学性质概览
属性洞察:3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的XLogP值为4.64919,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69.25 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-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione有1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
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的CAS号是多少?
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的CAS号为1005606-56-3。
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的分子式是什么?
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的分子式为C21H19F4N7S。
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的分子量是多少?
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的分子量为477.14 g/mol。
在哪里可以购买3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
您可以直接向科弘生物询价3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione。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-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione的定制合成服务?
是的,科弘生物提供3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione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。