CAS 177748-18-4 (E)-2,2-Dimethyl-propanoic Acid 4-[4-Chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl Ester (HCID 10550830)

기본 정보

CAS: 177748-18-4
표준 SMILES: CC(C)(C)C(=O)Oc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1
InChIKey: PIGIBJSRCPAYEL-OCOZRVBESA-N
분자식: C27H27ClO3
평균 분자량: 435 g/mol
단동위원소 질량: 434.1648724

이름 및 식별자

우선 이름: (E)-2,2-Dimethyl-propanoic Acid 4-[4-Chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl Ester
IUPAC: [4-[(E)-4-chloro-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
영어명: (E)-2,2-Dimethyl-propanoic Acid 4-[4-Chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl Ester
분자식: C27H27ClO3
분자량: 434.95

이름 및 동의어

177748-18-4(E)-2,2-Dimethyl-propanoic Acid 4-[4-Chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl Ester[4-[(E)-4-chloro-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoateDTXSID8011136504-[(1E)-4-Chloro-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenyl 2,2-dimethylpropanoatePropanoic acid, 2,2-dimethyl-, 4-[4-chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl ester, (E)-Toremifene Impurity 74-O-DesethyldiMethylaMine 4'-O-Pivaloyl 4-Hydroxy ToreMifenePropanoic acid, 2,2-dimethyl-, 4-[4-chloro-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl ester, (E)- (9CI)

데이터베이스 식별자

CAS: 177748-18-4
PubChem CID: 10550830
DTXSID: DTXSID801113650

물성

구조 계산 물성

XLogP: 8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 31
형식 전하: 0
복잡도: 598

물리화학적 성질

용해도: 아세톤, 디클로로메탄, 메탄올에 용해됨
물리적 상태: 고체
색상: 하얀색

화학적 성질

White Solid

화학 및 산업

응용 분야

용도Intermediate in the preparation of Toremifene metabolites.

공급사5 곳

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