OB-1 (CAS 300803-69-4) — formula C21H17N3O6, molecular weight 407.4; category organic chemicals.
OB-1 is a carbon-based organic compound with CAS registry number 300803-69-4 and molecular formula C21H17N3O6 (molecular weight 407.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 300803-69-4
Its molecular formula C21H17N3O6 comprises 21 C, 17 H, 3 N, 6 O atoms.
Also known as: OB-1
Category: organic chemicals
The CAS registry number of OB-1 is 300803-69-4.
Molecular formula C21H17N3O6, molecular weight 407.4.
It is also registered under: OB-1.
Category: Organic Chemicals.
Public-database records for OB-1 (CAS 300803-69-4), reproduced here for independent cross-checking.
| CAS Registry Number | 300803-69-4 |
|---|---|
| PubChem CID | 1113704 |
| 分子式 | C21H17N3O6 |
| IUPAC 名称 | ethyl 5-(3-methyl-5-nitroimidazol-4-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate |
| UNII（FDA） | ST50117105 |
300803-69-4; OB-1; STOML3 inhibitor OB-1; Ethyl 5-(1-methyl-4-nitro-1H-imidazol-5-yloxy)-2-phenylbenzofuran-3-carboxylate; ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate; Ethyl5-(1-methyl-4-nitro-1H-imidazol-5-yloxy)-2-phenylbenzofuran-3-carboxylate; ethyl 5-(3-methyl-5-nitroimidazol-4-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate; 5-(3-Methyl-5-nitro-3H-imidazol-4-yloxy)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester; ethyl 5-((1-methyl-4-nitro-1H-imidazol-5-yl)oxy)-2-phenylbenzofuran-3-carboxylate; STOML3 inhibitor OB-1?; Oprea1_191033; Oprea1_700628; orb1699787; SCHEMBL20241184; SCHEMBL29366081; AMA80369
| 分子量 | 407.4 |
|---|---|
| XLogP3 | 4.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 7 |
| 可旋转键数 | 6 |
| 精确质量 | 407.11173527 |
| 单同位素质量 | 407.11173527 |
| 拓扑极性表面积 | 112 |
| 重原子数 | 30 |
| 形式电荷 | 0 |
OB-1 · CAS 300803-69-4 · C21H17N3O6. UNII ST50117105.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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