1-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo(1,5-a)pyrazin-3-yl)-, phenylmethyl ester, (2S)-

HCID 86720303

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1420478-87-0
표준 SMILES: O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(Br)c2c(Cl)nccn12
InChIKey: BQNYTGLJPKJADU-ZDUSSCGKSA-N
분자식: C18H16BrClN4O2
평균 분자량: 435.7 g/mol
단동위원소 질량: 434.01452

이름 및 식별자

우선 이름: 1-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo(1,5-a)pyrazin-3-yl)-, phenylmethyl ester, (2S)-
IUPAC: benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
영어명: (S)-benzyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
분자식: C18H16BrClN4O2
분자량: 435.7

이름 및 동의어

1420478-87-01-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-, phenylmethyl ester, (2S)-1-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo(1,5-a)pyrazin-3-yl)-, phenylmethyl ester, (2S)-RefChem:235224(S)-benzyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylatebenzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylatebenzyl (S)-2-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylateSCHEMBL14651433benzyl (2S)-2-{1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl}pyrrolidine-1-carboxylateJF6S3X7PG8DTXSID301111530CS-0056819

이름 더 보기

Acalabrutinib Impurity 22(S)-benzyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazi(2S)-2-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-pyrrol...benzyl(S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate(2S)-2-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1- pyrrolidinecarboxylic acid phenylmethyl ester

D86197Benzyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate, (S)-Phenylmethyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-pyrrolidinecarboxylate

데이터베이스 식별자

CAS: 1420478-87-0
PubChem CID: 86720303
DTXSID: DTXSID301111530
UNII: JF6S3X7PG8
EC Number: 826-199-1

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 59.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 26
형식 전하: 0
복잡도: 508

물리화학적 성질

밀도: 1 · 1+-.0.1 g/cm3(Predicted)
산도 계수 (pKa): 0.7 · 0.70±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

상·하류 제품 정보

하류 제품

(2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-Pyrrolidinecarboxylic acid phenylmethyl ester

공급사65 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

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

郑州汇聚化工有限公司13393710386 · [email protected]

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