4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate
概要:4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate(CAS 320424-08-6)是一种化学化合物,分子式为C21H17ClN2O4S,分子量为428.06 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。
[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl N-(4-chlorophenyl)carbamate
又称:12N-645S, 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate, [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl N-(4-chlorophenyl)carbamate, {4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl N-(4-chlorophenyl)carbamate, [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl N-(4-chlorophenyl)carbamate
| 分子式 | C21H17ClN2O4S |
|---|---|
| 分子量 | 428.06 g/mol |
| LogP | 6.45652 |
| 拓扑极性表面积 | 81.47 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 6 |
| 精确质量 | 428.05975 |
| 重原子数 | 29 |
| 复杂度 | 1023.856 |
化学标识符
| CAS 编号 | 320424-08-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
产品概述
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate(CAS 320424-08-6),分子式为C21H17ClN2O4S,分子量为428.06 g/mol。IUPAC名:[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl N-(4-chlorophenyl)carbamate。
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate化学性质概览
属性洞察:4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的XLogP值为6.45652,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81.47 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,4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate有1个氢键供体和5个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的CAS号是多少?
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的CAS号为320424-08-6。
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的分子式是什么?
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的分子式为C21H17ClN2O4S。
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的分子量是多少?
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate的分子量为428.06 g/mol。
在哪里可以购买4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl N-(4-chlorophenyl)carbamate?
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