2-[(2S,3S)-2-(Benzyloxy)-3-pentanyl]-4-{4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one（CAS号：184177-83-1）

2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮

基本信息

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CAS号

184177-83-1

分子式

C30H35N5O3

分子量

513.64 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

沸点

685.4°C at 760 mmHg

SMILES

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CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1

InChIKey

QLRPRKJUMRQTOV-IADCTJSHSA-N

LogP

4.622600000000005

拓扑极性表面积

75.75999999999999 Å²

氢键供体/受体

1 / 8

复杂度

766

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

184177-83-1
2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
QLRPRKJUMRQTOV-IADCTJSHSA-N
3H-1,2,4-TRIAZOL-3-ONE, 2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-
4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl) piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
DS-16617
2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
AH978V32DS
CS-M2661
2-((2S,3R)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one
1-((2s,3s)-2-(benzyloxy)pentan-3-yl) -4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl) phenyl)-1h-1,2,4-triazol-5(4h)-one
F16787
MFCD18374617
2-[(1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL]-2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-3H-1,2,4-TRIAZOL-3-ONE
BCP08707
1-[(2S,3S)-2-(benzyloxy)pentan-3-yl]-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one,
2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one
2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phen
AKOS015901158
A812840
J-507563
1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
SCHEMBL3960227
2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
EN300-345916

中文

2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮
2-((1S,2S)-1-乙基-2-苄氧基丙基)-2,4-二氢-4-(4-(4-(4-羟基苯基)-1-哌嗪基)苯基)-3H-1,2,4-三氮唑-3-酮
2-(2,4-二氟苯基)-1-(1H-1,2,4-噻唑-1-基)-3-(4H-1,2,4-三唑-4-基)-2-丙醇
2,4-二氢-4-[[4-(4-羟基苯基)-1-哌嗪基]苯基]-2-(1-甲基丙基)-3H-1,2,4-三氮唑-3-酮
2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2
4-(4-(4-(4-羟苯基)-1-哌啶基)苯基)-2-[(1S,2S)-1-乙基-2-(苄氧基)丙基]-2,4-二氢-3H-1,2,4-三唑-3-酮
泊沙侧链3
泊沙康唑
泊沙康唑侧链
泊沙康唑中间体O
甲基磷酸乙酯
泊沙康唑中间体10
1-((2S,3S)-2-(苄氧基)戊-3-基)-4-(4-(4-(4-羟基苯基)哌嗪-1-基)苯基)-1H-1,2,4-三氮唑-5(4H)-酮
2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1
泊沙康唑-2
泊沙侧链
泊沙康唑中间体3
泊沙康唑中间体B
泊沙康唑中间体0
泊沙康唑中间体POB

MDL号

MFCD18374617

常见问题

什么是2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮(CAS号：184177-83-1)？

该化合物是一种含三氮唑环的有机合成中间体，化学结构包含多个手性中心（1S,2S构型）和功能基团。分子中包含一个苄氧基（benzyloxy）取代的丙基链，以及一个连接至4-羟基苯基哌嗪基的苯基环。三氮唑环作为五元杂环结构，与酮基共同构成核心骨架，整体分子具有复杂的立体化学特征和多样的官能团组合，常用于药物化学或材料科学领域。