4-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester

HCID 12002073
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기본 정보

CAS
917389-18-5
표준 SMILES
COC(=O)CC1c2cccc(F)c2N=C(Cl)N1c1cc(C(F)(F)F)ccc1OC
InChIKey
VRUCYVSBVGTFGX-UHFFFAOYSA-N
분자식
C19H15ClF4N2O3
평균 분자량
430.8 g/mol

이름 및 식별자

우선 이름
4-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester
IUPAC
methyl 2-[2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetate
영어명
VRUCYVSBVGTFGX-UHFFFAOYSA-N
분자식
C19H15ClF4N2O3
분자량
430.78

이름 및 동의어

917389-18-54-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl estermethyl 2-(2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-4-yl)acetateMethyl 2-[2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl]acetateLetermovir impurity 1292UGR2JLC8TSCHEMBL8746742DB-198409Methyl {2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetateMethyl 2-(2-chloro-8-fluoro-3-(5-(trifluoromethyl)-2-methoxyphenyl)-3,4-dihydroquinazolin-4-yl)acetateMethyl 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetateMethyl{2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetate
이름 더 보기
RMA-2LeterMovir-018Letermovir Impurity 37LeterMovir Impurity 21VRUCYVSBVGTFGX-UHFFFAOYSA-NMethyl 2-(2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-4H-quinazolin-4-yl)acetateMETHYL 2-(2-CHLORO-8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-Ymethyl 2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-3,4-dihydroquinazoline-4-carboxylatemethyl 2-(2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

데이터베이스 식별자

CAS
917389-18-5
PubChem CID
12002073
UNII
2UGR2JLC8T

물성

구조 계산 물성

XLogP
4.4
극성 표면적
51.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
29

물리화학적 성질

끓는 점
479.3 · 479.3±55.0 °C(Predicted)
밀도
1.42 · 1.42±0.1 g/cm3(Predicted)
산도 계수 (pKa)
-1.59 · -1.59±0.20(Predicted)

화학 및 산업

공급사11 곳

Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]

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