Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate
概要:Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate(CAS 94126-57-5)是一种化学化合物,分子式为C10H14N4O4,分子量为254.10 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 4-carbamoyl-1-(carbamoylamino)-2,5-dimethylpyrrole-3-carboxylate
又称:METHYL 4-CARBAMOYL-1-(CARBAMOYLAMINO)-2,5-DIMETHYL-PYRROLE-3-CARBOXYLATE, methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethylpyrrole-3-, methyl 4-carbamoyl-2,5-dimethyl-1-ureido-pyrrole-3-carboxylate, methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethylpyrrole-3-carboxylate, Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-1H-pyrrole-3-carboxylate
| 分子式 | C10H14N4O4 |
|---|---|
| 分子量 | 254.10 g/mol |
| LogP | -0.8 |
| 拓扑极性表面积 | 129.0 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 254.1015 |
| 重原子数 | 18 |
| 复杂度 | 373.0 |
化学标识符
| CAS 编号 | 94126-57-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1NC(=O)N)C)C(=O)OC)C(=O)N |
| InChIKey | FNHZIWUBNOYJKE-UHFFFAOYSA-N |
产品概述
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate(CAS 94126-57-5),分子式为C10H14N4O4,分子量为254.10 g/mol。IUPAC名:methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethylpyrrole-3-carboxylate。
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate化学性质概览
属性洞察:Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的XLogP值为-0.8,表明该化合物具有亲水性(水溶性好),适合水性配方和生物检测应用。 TPSA为129.0 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 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate有3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 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的CAS号是多少?
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的CAS号为94126-57-5。
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的分子式是什么?
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的分子式为C10H14N4O4。
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的分子量是多少?
Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate的分子量为254.10 g/mol。
在哪里可以购买Methyl 4-carbamoyl-1-(carbamoylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
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