기본 정보
- CAS
2591260-08-9- 표준 SMILES
CCCOC(=O)N(Cc1c(F)cccc1F)c1sc(-c2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1C(=O)OCC- InChIKey
AHJGTSYTQGNLHJ-UHFFFAOYSA-N- 분자식
- C27H29F2N3O6S
- 평균 분자량
- 561.6 g/mol
이름 및 식별자
- 우선 이름
- 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](propoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl ester
- IUPAC
- ethyl 2-[(2,6-difluorophenyl)methyl-propoxycarbonylamino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophene-3-carboxylate
- 영어명
- 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](propoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl ester
- 분자식
- C27H29F2N3O6S
- 분자량
- 561.6
이름 및 동의어
2591260-08-9G878083-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](propoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl esterETHYL 2-((2,6-DIFLUOROBENZYL)(PROPOXYCARBONYL)AMINO)-4-((DIMETHYLAMINO)METHYL)-5-(4-NITROPHENYL)THIOPHENE-3-CARBOXYLATEEthyl 2-[[(2,6-difluorophenyl)methyl](propoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-3-thiophenecarboxylateRelugolix Impurity 61Relugolix Impurity 2023-Thiophenecarboxylic acid, 2-[[(2,6- difluorophenyl)methyl](propoxycarbonyl)amino] -4-3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](propoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl este
데이터베이스 식별자
- CAS
2591260-08-9
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 816
물리화학적 성질
- 끓는 점
- 671.3 · 671.3±55.0 °C(Predicted)
- 밀도
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.75 · 7.75±0.28(Predicted)
- InChIKey
- AHJGTSYTQGNLHJ-UHFFFAOYSA-N
- SMILES
- C1(N(CC2=C(F)C=CC=C2F)C(OCCC)=O)SC(C2=CC=C([N+]([O-])=O)C=C2)=C(CN(C)C)C=1C(OCC)=O
화학 및 산업
공급사35 곳
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
江苏威凯尔医药科技有限公司025-58741518 13327700685 · [email protected]
安徽海康药业有限责任公司86-0556-5800026 17709662922 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
厦门海乐景生化有限公司0592-6688068 18106901346 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
浙江科聚生物医药有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…