Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
概要：Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride（CAS 119585-00-1）是一种化学化合物，分子式为C23H27Cl3FNO2，分子量为473.11 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。
[4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate;hydrochloride
又称：Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride, 4-(Azepan-1-yl)-2-(2,4-dichlorophenyl)butyl 4-fluorobenzoate--hydrogen chloride (1/1), [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate hydrochloride, RefChem:1070032
| 分子式 | C23H27Cl3FNO2 |
|---|---|
| 分子量 | 473.11 g/mol |
| LogP | 6.761 |
| 拓扑极性表面积 | 29.54 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 7 |
| 精确质量 | 473.10913 |
| 重原子数 | 30 |
| 复杂度 | 808.5956 |
化学标识符
| CAS 编号 | 119585-00-1 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(COC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)Cl)Cl.Cl |
产品概述
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride（CAS 119585-00-1），分子式为C23H27Cl3FNO2，分子量为473.11 g/mol。IUPAC名：[4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate;hydrochloride。
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride化学性质概览
属性洞察：Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的XLogP值为6.761，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。 Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的拓扑极性表面积（TPSA）为29.54 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride有0个氢键供体和3个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的CAS号是多少？
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的CAS号为119585-00-1。
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的分子式是什么？
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的分子式为C23H27Cl3FNO2。
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的分子量是多少？
Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride的分子量为473.11 g/mol。
在哪里可以购买Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride？
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