Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate
概要:Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate(CAS 702667-58-1)是一种化学化合物,分子式为C15H13N5O5S,分子量为375.06 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-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate
又称:methyl 2-({[(3-nitrophenyl)formohydrazido]methanethioyl}amino)pyridine-3-carboxylate, F6548-3493, methyl 2-(2-(3-nitrobenzoyl)hydrazinecarbothioamido)nicotinate, methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate, methyl 2-({[2-(3-nitrobenzoyl)hydrazino]carbonothioyl}amino)nicotinate
| 分子式 | C15H13N5O5S |
|---|---|
| 分子量 | 375.06 g/mol |
| LogP | 1.4078 |
| 拓扑极性表面积 | 135.49 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 7 |
| 可旋转键数 | 4 |
| 精确质量 | 375.06375 |
| 重原子数 | 26 |
| 复杂度 | 873.01056 |
化学标识符
| CAS 编号 | 702667-58-1 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
产品概述
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate(CAS 702667-58-1),分子式为C15H13N5O5S,分子量为375.06 g/mol。IUPAC名:methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate。
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate化学性质概览
属性洞察:Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的XLogP值为1.4078,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135.49 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 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate有3个氢键供体和7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 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的CAS号是多少?
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的CAS号为702667-58-1。
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的分子式是什么?
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的分子式为C15H13N5O5S。
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的分子量是多少?
Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate的分子量为375.06 g/mol。
在哪里可以购买Methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate?
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