Ethyl 5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

HCID 2857138

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 134575-05-6
표준 SMILES: CCOC(=O)C1=NNC2C(=O)N(Cc3ccccc3)C(=O)C12
InChIKey: PXMBNSUKLTVWHM-UHFFFAOYSA-N
분자식: C15H15N3O4
평균 분자량: 301.3 g/mol
단동위원소 질량: 301.10625596

이름 및 식별자

우선 이름: Ethyl 5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
IUPAC: ethyl 5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
영어명: ethyl 5-benzyl-1,3a,4,5,6,6a-hexahydro-4,6-dioxopyrrolo[3,4-c]pyrazole-3-carboxylate
분자식: C15H15N3O4
분자량: 301.3

이름 및 동의어

134575-05-6ethyl 5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylateethyl 5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylateMFCD01031889ethyl 5-benzyl-4,6-dioxo-1H,3aH,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylateF3115-0090Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-(phenylmethyl)-, ethyl esterEthyl 5-benzyl-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylateCBMicro_026831MLS000767223SCHEMBL796062CHEMBL1883683

이름 더 보기

ethyl 5-benzyl-1,3a,4,5,6,6a-hexahydro-4,6-dioxopyrrolo[3,4-c]pyrazole-3-carboxylate

PXMBNSUKLTVWHM-UHFFFAOYSA-NDTXSID701331532HMS1659A18HMS2801I22SMSSF-0053578AC3884STK364696AKOS000477603

데이터베이스 식별자

CAS: 134575-05-6
PubChem CID: 2857138
DTXSID: DTXSID701331532
ChEMBL: CHEMBL1883683
Nikkaji: J788.948H

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 88.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 525

실험 및 물리화학적 성질

Solubility31.5 [ug/mL] (The mean of the results at pH 7.4)

화학 및 산업

상·하류 제품 정보

하류 제품

엑소-3-Boc-3-아자비사이클로[3.1.0]헥산-6-메탄올 (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

공급사2 곳

苏州美石生物科技有限公司1173954148q · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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