Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate
概要:Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate(CAS 109227-07-8)是一种化学化合物,分子式为C25H20ClN3O6,分子量为493.10 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 2-[4-[(4-chlorobenzoyl)-(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate
又称:Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate, Benzeneacetic acid, 4-((4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino)-alpha-methyl-,methyl ester, methyl 2-[4-[(4-chlorobenzoyl)-(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate, Methyl 2-{4-[(4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl}propanoate, Methyl 2-{4-[4-chloro-N-(7-nitro-2H-1,4-benzoxazin-3-yl)benzamido]phenyl}propanoate
| 分子式 | C25H20ClN3O6 |
|---|---|
| 分子量 | 493.10 g/mol |
| LogP | 5.2941 |
| 拓扑极性表面积 | 111.34 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 7 |
| 可旋转键数 | 5 |
| 精确质量 | 493.10406 |
| 重原子数 | 35 |
| 复杂度 | 1322.0337 |
化学标识符
| CAS 编号 | 109227-07-8 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2)C(=O)C4=CC=C(C=C4)Cl)C(=O)OC |
产品概述
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate(CAS 109227-07-8),分子式为C25H20ClN3O6,分子量为493.10 g/mol。IUPAC名:methyl 2-[4-[(4-chlorobenzoyl)-(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate。
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate化学性质概览
属性洞察:Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的XLogP值为5.2941,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111.34 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-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate有0个氢键供体和7个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的CAS号是多少?
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的CAS号为109227-07-8。
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的分子式是什么?
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的分子式为C25H20ClN3O6。
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的分子量是多少?
Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate的分子量为493.10 g/mol。
在哪里可以购买Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
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