Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
概要：Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)（CAS 111910-28-2）是一种化学化合物，分子式为C15H16ClN3O6S，分子量为401.04 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-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
又称：Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt), (3-chloro-5-hydroxy-phenyl) 4-(diaminomethylideneamino)benzoate; Methanesulfonic Acid, (3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid, Methanesulfonic acid--3-chloro-5-hydroxyphenyl 4-[(diaminomethylidene)amino]benzoate (1/1), RefChem:327346
| 分子式 | C15H16ClN3O6S |
|---|---|
| 分子量 | 401.04 g/mol |
| LogP | 1.6737 |
| 拓扑极性表面积 | 165.3 Ų |
| 氢键供体数 | 4 |
| 氢键受体数 | 6 |
| 可旋转键数 | 3 |
| 精确质量 | 401.04483 |
| 重原子数 | 26 |
| 复杂度 | 881.229 |
化学标识符
| CAS 编号 | 111910-28-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2)O)Cl)N=C(N)N |
产品概述
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)（CAS 111910-28-2），分子式为C15H16ClN3O6S，分子量为401.04 g/mol。IUPAC名：(3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid。
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)化学性质概览
属性洞察：Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的XLogP值为1.6737，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165.3 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)有4个氢键供体和6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
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的CAS号是多少？
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的CAS号为111910-28-2。
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的分子式是什么？
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的分子式为C15H16ClN3O6S。
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的分子量是多少？
Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)的分子量为401.04 g/mol。
在哪里可以购买Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)？
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