Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
概要:Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate(CAS 1007962-47-1)是一种化学化合物,分子式为C15H16F3N3O3S,分子量为375.09 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。
methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate
又称:methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate, methyl [3-oxo-1-({[3-(trifluoromethyl)phenyl]amino}carbonothioyl)-2-piperazinyl]acetate, methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate, methyl 2-(3-oxo-1-((3-(trifluoromethyl)phenyl)carbamothioyl)piperazin-2-yl)acetate, METHYL 2-(3-OXO-1-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOTHIOYL}PIPERAZIN-2-YL)ACETATE
| 分子式 | C15H16F3N3O3S |
|---|---|
| 分子量 | 375.09 g/mol |
| LogP | 1.7657 |
| 拓扑极性表面积 | 70.67 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 375.08646 |
| 重原子数 | 25 |
| 复杂度 | 681.4757 |
化学标识符
| CAS 编号 | 1007962-47-1 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F |
产品概述
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate(CAS 1007962-47-1),分子式为C15H16F3N3O3S,分子量为375.09 g/mol。IUPAC名:methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate。
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate化学性质概览
属性洞察:Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的XLogP值为1.7657,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为70.67 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,Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate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
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的CAS号是多少?
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的CAS号为1007962-47-1。
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的分子式是什么?
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的分子式为C15H16F3N3O3S。
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的分子量是多少?
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate的分子量为375.09 g/mol。
在哪里可以购买Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
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