CAS 1190363-46-2 (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one (HCID 57911475)

기본 정보

CAS: 1190363-46-2
표준 SMILES: CC(C)[Si](O[C@@H]1CC[C@@H](c2cccc(F)c2F)C(=O)c2cccnc21)(C(C)C)C(C)C
InChIKey: AIVVBBARCYSYDU-SIKLNZKXSA-N
분자식: C25H33F2NO2Si
평균 분자량: 445.6 g/mol

이름 및 식별자

우선 이름: (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one
IUPAC: (6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
영어명: (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one
분자식: C25H33F2NO2Si
분자량: 445.62

이름 및 동의어

1190363-46-2(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one5H-Cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6S,9R)-(6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-oneMFCD28387029(6S,9R)-6-(2,3-Difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one(6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one(6S,9R)-6-(2,3-Difluorophenyl)-9-[(triisopropylsilyl)oxy]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-oneRimegepant Impurity 14KJ8H86WCT7SCHEMBL829272BMS-846372 Impurity 1

이름 더 보기

Ramazepam Impurity 8Rimegepant Impurity 8(6S,9R)-6-(2,3-Difluoroph(S)-3-(4-(4-Hydroxyphenoxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

물성

구조 계산 물성

극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 593

물리화학적 성질

녹는점: 93.5 · 93.5-94.2 °C
끓는 점: 477.5 · 477.5±45.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.97 · 2.97±0.60(Predicted)
InChIKey: AIVVBBARCYSYDU-SIKLNZKXSA-N
SMILES: C12[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H](C3=CC=CC(F)=C3F)C(=O)C1=CC=CN=2

화학 및 산업

공급사100 곳

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

广州朗欧生物科技有限公司15876533741 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

화합물 노트

불러오는 중…

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one