Acoziborole

HCID 44178354

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1266084-51-8
표준 SMILES: CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21
InChIKey: PTYGDEXEGLDNAZ-UHFFFAOYSA-N
분자식: C17H14BF4NO3
평균 분자량: 367.1 g/mol
단동위원소 질량: 367.10028659

개요

Acoziborole is a member of (trifluoromethyl)benzenes.

이름 및 식별자

우선 이름: Acoziborole
IUPAC: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
영어명: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide(WXG02326)
분자식: C17H14BF4NO3
분자량: 367.1

이름 및 동의어

Acoziborole1266084-51-8SCYX-7158Acoziborol2IOR2OO3GWBenzamide, N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)-DTXSID3013360354-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide4-Fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo(C)(1),(2)oxaborol-6-yl-2-trifluoromethyl benzamideacoziborolumRefChem:1076046DTXCID801766122

이름 더 보기

AN 55684-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide(WXG02326)

4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamideMFCD30532746UNII-2IOR2OO3GWAN-5568ACOZIBOROLE [INN]ACOZIBOROLE [WHO-DD]C17H14BF4NO3

데이터베이스 식별자

CAS: 1266084-51-8
PubChem CID: 44178354
DTXSID: DTXSID301336035
ChEMBL: CHEMBL2347704
ChEBI: CHEBI:183111
UNII: 2IOR2OO3GW
Nikkaji: J3.511.276F

물성

구조 계산 물성

극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 26
형식 전하: 0
복잡도: 545

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 125 mg/mL · DMSO : ≥ 125 mg/mL (340.51 mM)
물리적 상태: Solid
산도 계수 (pKa): 7.14 · 7.14±0.40(Predicted)
색상: White to off-white

화학 및 산업

상·하류 제품 정보

상류 원료

6-aMino-3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol 3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol 2-(2-Bromophenyl)-6-butyl-1,3,6,2-dioxazaborolane 2-(2-브로모페닐)-2-프로판올 3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE 1266320-01-7 Methyl 2-bromobenzoate 2-Bromophenylboronic acid

공급사26 곳

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

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Aladdin Scientific[email protected]

United Life Science020-82099279 18988941402 · [email protected]

銳迪國際科技有限公司18024082417 · [email protected]

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