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기본 정보
- CAS
103253-15-2- 표준 SMILES
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12- InChIKey
JLPYLHLUHJOPNL-UHFFFAOYSA-N- 분자식
- C21H21ClFNO2
- 평균 분자량
- 373.8 g/mol
- 단동위원소 질량
- 373.12448481
개요
3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid is a methylindole.
이름 및 식별자
- 우선 이름
- L 655240
- IUPAC
- 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-2,2-dimethylpropanoic acid
- 영어명
- L-655,240
- 분자식
- C21H21ClFNO2
- 분자량
- 373.85
이름 및 동의어
103253-15-2L 655240L-6552403-(1-(4-Chlorobenzyl)-5-fluoro-3-methylindol-2-yl)-2,2-dimethylpropanoic acidN2DFC8C5K2RefChem:151655L-655,2403-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-2,2-dimethylpropanoic acidCHEMBL3622231-[(4-Chlorophenyl)methyl]-5-fluoro-alpha,alpha,3-trimethyl-1H-indole-2-propanoic acid3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acidSR-01000075967
이름 더 보기
L-655L 655,240,L655,2401-(4-Chlorobenzyl)-5-fluoro-α,α,3-trimethyl-1H-indole-2-propanoic acid1-[(4-Chlorophenyl)methyl]-5-fluoro-α,α,3-trimethyl-1H-indole-2-propanoic acid1-[(4-CHLOROPHENYL)METHYL]-5-FLUORO-A,A,3-TRIMETHYL-1H-INDOLE-2-PROPANOIC ACID1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-5-fluoro-α,α,3-trimethyl-1-((4-Chlorophenyl)methyl)-5-fluoro-alpha,alpha-3-trimethyl-(1H)-indole-2-propanoicacid
1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-5-fluoro-alpha,alpha,3-trimethyl-1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-5-fluoro-alpha,alpha,3-trimethyl-JLPYLHLUHJOPNL-UHFFFAOYSA-NTocris-1698Lopac-L-95393-[1-(4-Chlorobenzyl)-5-fluoro-3-methyl-indol-2-yl]-2,2-dimethyl propanoic acidLopac0_000670SCHEMBL3252820
물성
구조 계산 물성보충 중
- XLogP
- 5.4
- 극성 표면적
- 42.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 506
물리화학적 성질
- 끓는 점
- 548.7 · 548.7±50.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- Store at RT
- 용해도
- 30 mg/mL · DMSO: 30 mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.82 · 4.82±0.10(Predicted)
- 색상
- 회백색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 36/37/39
화학 및 산업
응용 분야
용도L-655,240 is a selective and potent thromboxane and prostaglandin endoperoxide antagonist. Also used in the structure-based and ligand-based drug design for microsomal prostaglandins E synthase-1 inhibitors.
공급사9 곳
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
ChemeGen 中国18818260767 · [email protected]
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