기본 정보
- CAS
503559-84-0- 표준 SMILES
CC=Cc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1OCc1ccccc1- InChIKey
HERVQUFQZXZOBU-UHFFFAOYSA-N- 분자식
- C29H34FNO2
- 평균 분자량
- 447.6 g/mol
- 단동위원소 질량
- 447.25735749
이름 및 식별자
- 우선 이름
- Glucagon receptor antagonists-1
- IUPAC
- 1-[4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol
- 영어명
- 4-[4-Fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-Pyridinemethanol
- 분자식
- C29H34FNO2
- 분자량
- 447.59
이름 및 동의어
glucagon receptor antagonists-1orb1709596AKOS030228937DB-0150546-bis(1-methylethyl)-5-(1-propen-1-yl)-4-[4-fluoro-2-(phenylmethoxy)phenyl]-.alpha.-methyl-2Glucagon receptor antagonists 1,Glucagon receptor antagonists11-(4-(2-(Benzyloxy)-4-fluorophenyl)-2,6-diisopropyl-5-(prop-1-en-1-yl)pyridin-3-yl)ethanol4-[4-Fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-Pyridinemethanol3-Pyridinemethanol, 4-[4-fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-4-[4-Fluoro-2-(phenylmethoxy)phenyl]-alpha-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-pyridinemethanol3-PyridineMethanol, 4-[4-fluoro-2-(phenylMethoxy)phenyl]-.alpha.-Methyl-2,6-bis(1-Methylethyl)-5-(1-propen-1-yl)-
이름 더 보기
4-[4-Fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-Pyridinemethanol ISO 9001：2015 REACH
데이터베이스 식별자
- CAS
503559-84-0
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 602
물리화학적 성질
- 끓는 점
- 544.9 · 544.9±50.0 °C(Predicted)
- 밀도
- 1.094 · 1.094
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 50 mg/mL · DMSO : 50 mg/mL (111.71 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.38 · 13.38±0.20(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사10 곳
InvivoChem中国13549236410 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Musechem+1-800-259-7612 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
重庆卡兰医药有限公司[email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
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