기본 정보
- CAS
1256918-39-4- 표준 SMILES
CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1- InChIKey
HNAJDMYOTDNOBK-UHFFFAOYSA-N- 분자식
- C29H28Cl2F2N2O4S
- 평균 분자량
- 609.5 g/mol
이름 및 식별자
- 우선 이름
- Bms-852927
- IUPAC
- 2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
- 영어명
- BMS-852927
- 분자식
- C29H28Cl2F2N2O4S
- 분자량
- 609.51
이름 및 동의어
1256918-39-4BMS-852927XL-041EXEL-04541041H9649L8MZN2-(2-(1-(2,6-Dichlorophenyl)-1-methyl-ethyl)-1-(2-fluoro-4-(3-fluoro-4-(hydroxymethyl)-5-methylsulfonyl-phenyl)phenyl)imidazol-4-yl)propan-2-ol1H-Imidazole-4-methanol, 2-(1-(2,6-dichlorophenyl)-1-methylethyl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)(1,1'-biphenyl)-4-yl)-alpha,alpha-dimethyl-1H-IMIDAZOLE-4-METHANOL, 2-(1-(2,6-DICHLOROPHENYL)-1-METHYLETHYL)-1-(3,3'-DIFLUORO-4'-(HYDROXYMETHYL)-5'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)-.ALPHA.,.ALPHA.-DIMETHYL-2-[2-[1-(2,6-dichlorophenyl)-1-methyl-ethyl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-olRefChem:120751XL-652XL041
이름 더 보기
XL-041)XL041,XL-041XL041（BMS-852927）BMS-852927 (BMS 8529272-(2-(2-(2,6-dichlorophenyl)propan-2-yl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-4-yl)propan-2-ol1H-Imidazole-4-methanol, 2-[1-(2,6-dichlorophenyl)-1-methylethyl]-1-[3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-α,α-dimethyl-
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 974
물리화학적 성질
- 끓는 점
- 810.6 · 810.6±75.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 150 mg/mL · DMSO : ≥ 150 mg/mL (246.10 mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 11.2 · 11.20±0.10(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사17 곳
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
ChemeGen 中国18818260767 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
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