(E)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

HCID 53394957
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기본 정보

CAS
172336-32-2
표준 SMILES
CCOC(=O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey
MAUQAXOHCVNUMX-UHFFFAOYSA-N
분자식
C27H28FNO4
평균 분자량
449.5 g/mol
단동위원소 질량
449.20023654

이름 및 식별자

우선 이름
(E)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
IUPAC
ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
영어명
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate
분자식
C27H28FNO4
분자량
449.51

이름 및 동의어

147008-20-6(E)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate(3R,5S)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate[R-(R*,S*)]-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid ethyl ester172336-33-3SCHEMBL1582437SCHEMBL2898752SCHEMBL30881627SB73187Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-...Ethy(E)-3,5-dihydroxy-7-[2-cycloproyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoateEthyl (E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
이름 더 보기
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-flurophenyl)-3-quinolinyl]-hept-6-enoateETHYL (E)-3,5-DIHYDROXY-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL]-HEPT-6-ENOATEethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoateEthyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoater7(E)-3,5-Dihydroxy-7-[2-cycloPropyl-4-(4-Fluorophenyl)-3-quinolinyl]hept-6-enoic acid Ethyl ester(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid ethyl ester

데이터베이스 식별자

CAS
172336-32-2
PubChem CID
53394957
EC Number
605-634-7

물성

구조 계산 물성

XLogP
4.2
극성 표면적
79.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
33

물리화학적 성질

끓는 점
670.4 · 670.4±55.0 °C(Predicted)
밀도
1.271 · 1.271
저장 조건
2 · 2-8°C
산도 계수 (pKa)
13.79 · 13.79±0.20(Predicted)

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사48 곳

上海炎泽化工有限公司15345144255 19975051755 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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