기본 정보
- CAS
166948-49-8- 표준 SMILES
C[C@@H](C(=O)O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
QUOMTGYGYQRSMC-ISVAXAHUSA-N- 분자식
- C13H13F2N3O3
- 평균 분자량
- 297.26 g/mol
- 단동위원소 질량
- 297.09249761
이름 및 식별자
- 우선 이름
- (Alphar,betar)-beta-(2,4-difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic acid
- IUPAC
- (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid
- 현지명
- (αR,βR)-β-(2,4-디플루오로페닐)-β-히드록시-α-메틸-1H-1,2,4-트리아졸-1-부탄산
- 영어명
- (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid
- 분자식
- C13H13F2N3O3
- 분자량
- 297.26
이름 및 동의어
166948-49-8(ALPHAR,BETAR)-BETA-(2,4-DIFLUOROPHENYL)-BETA-HYDROXY-ALPHA-METHYL-1H-1,2,4-TRIAZOLE-1-BUTANOIC ACID(2R,3R)-3-(2,4-DIFLUOROPHENYL)-3-HYDROXY-2-METHYL-4-(1,2,4-TRIAZOL-1-YL)BUTANOIC ACID(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid(aR,bR)-b-(2,4-Difluorophenyl)-b-hydroxy-a-methyl-1H-1,2,4-triazole-1-butanoic AcidQUOMTGYGYQRSMC-ISVAXAHUSA-N[R-(R*,R*)]-beta-(2,4-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic Acid;SCHEMBL3368908DTXSID00434649(alphaR,betaR)-beta-(2,4Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic acidFA102463(?R,?R)-?-(2,4-Difluorophenyl)-?-hydroxy-?-methyl-1H-1,2,4-triazole-1-butanoic Acid
이름 더 보기
(αR,βR)-β-(2,4-디플루오로페닐)-β-히드록시-α-메틸-1H-1,2,4-트리아졸-1-부탄산(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid[R-(R*,R*)]-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoic Acid
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 88.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 388
물리화학적 성질
- 녹는점
- 212 · 212-213℃
- 끓는 점
- 515.1 · 515.1±60.0 °C(Predicted)
- 밀도
- 1.45 · 1.45
- 용해도
- DMSO, 에틸아세테이트, 메탄올에 용해됨
- 산도 계수 (pKa)
- 3.95 · 3.95±0.24(Predicted)
화학 및 산업
응용 분야
용도Intermediate in the preparation of Albaconazole.
공급사10 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津莱茵泰克生物科技有限公司022-87601716 13920326762 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海谦和生物科技有限公司021-58337595 13621714589 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
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