4-Bromo-1,6-dihydro-6-methyl-1-((4-methylphenyl)sulfonyl)-7H-pyrrolo(2,3-c)pyridin-7-one

HCID 89656304CAS 1445993-87-2

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)n2ccc3c(Br)cn(C)c(=O)c32)cc1
InChIKey: PZEBKVLFDUMYSY-UHFFFAOYSA-N
분자식: C15H13BrN2O3S
평균 분자량: 381.2 g/mol
단동위원소 질량: 379.98302538

이름 및 식별자

우선 이름: 4-Bromo-1,6-dihydro-6-methyl-1-((4-methylphenyl)sulfonyl)-7H-pyrrolo(2,3-c)pyridin-7-one
IUPAC: 4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
영어명: 4-bromo-6-methyl-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
분자식: C15H13BrN2O3S
분자량: 381.24

이름 및 동의어

1445993-87-24-Bromo-1,6-dihydro-6-methyl-1-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-c]pyridin-7-one4-Bromo-1,6-dihydro-6-methyl-1-((4-methylphenyl)sulfonyl)-7H-pyrrolo(2,3-c)pyridin-7-oneRefChem:2904344-Bromo-6-methyl-1-(4-methylbenzenesulfonyl)-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one4-bromo-6-methyl-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-oneMFCD304716327H-Pyrrolo[2,3-c]pyridin-7-one, 4-bromo-1,6-dihydro-6-methyl-1-[(4-methylphenyl)sulfonyl]-4-bromo-6-methyl-1-tosyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-oneSCHEMBL15772281PZEBKVLFDUMYSY-UHFFFAOYSA-N

이름 더 보기

4-Bromo-6-methyl-1-tosyl-6-azaindole-7(6H)-one4-bromo-6-methyl-1-tosyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-on4-bromo-6-methyl-1-[(4-methylphenyl)sulfonyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one4-bromo-6-methyl-1-(4-methylbenzenesulfonyl)-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one - [B82952]

DTXSID701124349AKOS030628585CS-W000118SB18302AS-53100SY099649DB-205942P16075

데이터베이스 식별자

CAS: 1445993-87-2
PubChem CID: 89656304
DTXSID: DTXSID701124349

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 67.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 590

물리화학적 성질

끓는 점: 564.2 · 564.2±60.0 °C(Predicted)
밀도: 1.59 · 1.59±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): -4.4 · -4.40±0.40(Predicted)
InChI: InChI=1S/C15H13BrN2O3S/c1-10-3-5-11(6-4-10)22(20,21)18-8-7-12-13(16)9-17(2)15(19)14(12)18/h3-9H,1-2H3
InChIKey: PZEBKVLFDUMYSY-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C=C(Br)C2C=CN(S(C3=CC=C(C)C=C3)(=O)=O)C1=2

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

상·하류 제품 정보

상류 원료

1H-Pyrrolo[2,3-c]pyridine, 4-bromo-7-chloro-1-[(4-methylphenyl)sulfonyl]-4-bromo-7-methoxy-1-tosyl-1H-pyrrolo[2,3-c]pyridine 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one 5-Bromo-2-chloro-3-nitropyridine 2-Methoxy-3-nitro-4-picoline 4-bromo-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one 4-브로모-7-클로로-1H-피롤로[2,3-c]피리딘 5-BroMo-4-[2-(diMethylaMino)ethenyl]-2-Methoxy-3-nitropyridine 5-브로모-2-메톡시-4-메틸-3-니트로피리딘 파라-톨루엔설폰일 염화물 2-Chloro-4-methyl-3-nitropyridine 1.4-다이옥세인

하류 제품

ABBV-075

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

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Aladdin Scientific[email protected]

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