기본 정보
- CAS
332374-42-2- 표준 SMILES
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C=O- InChIKey
PZZJTXYBHOEFPL-UHFFFAOYSA-N- 분자식
- C14H20N2O4S
- 평균 분자량
- 312.39 g/mol
- 단동위원소 질량
- 312.1143783
이름 및 식별자
- 우선 이름
- 2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)benzaldehyde
- IUPAC
- 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
- 영어명
- 1-[(4-Ethoxy-3-formylphenyl)sulfonyl]-4-methylpiperazine
- 분자식
- C14H20N2O4S
- 분자량
- 312.38
이름 및 동의어
2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)benzaldehyde2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]Benzaldehyde2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]benzaldehyde2-Ethoxy-5-((4-methyl-1-piperazinyl)sulfonyl)benzaldehydeRefChem:471611641-937-0920-283-2332374-42-21-(4-ethoxy-3-formylphenylsulfonyl)-4-methylpiperazine2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl)]-benzaldehyde2-ETHOXY-5-(4-METHYLPIPERAZINE-1-SULFONYL)BENZALDEHYDE (1-[(4-ETHOXY-3-FORMYLPHENYL)SULFONYL]-4-METHYLPIPERAZINE)
이름 더 보기
CID135505037Sildenafil Aldehyde2-Ethoxy-5-(4-methylpiperazine-1-su1-[(4-Ethoxy-3-formylphenyl)sulfonyl]-4-methylpiperazineBenzaldehyde, 2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]-2-Ethoxy-5-(4-methylpiperazine-1-sulfonyl)-benzaldehyde (1-[2-ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)benzaldehyde? (Sildenafil Impurity）2-Ethoxy-5-(4-methylpiperazine-1-sulfonyl)benzaldehyde (1-[(4-Ethoxy-3-formylphenyl)sulfonyl]-4-meth
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 75.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 440
물리화학적 성질
- 끓는 점
- 474 · 474.0±55.0 °C(Predicted)
- 밀도
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.03 · 6.03±0.42(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]benzaldehyde (EC: 641-937-0)
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
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
응용 분야
용도2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl)]-benzaldehyde is an intermediate in the synthesis of Sildenafil (S435000), an orally active selective type 5 cGMP phosphodiesterase inhibitor.
공급사16 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
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