ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate (CAS 1589503-97-8) — formula C26H27F2N3O6S, molecular weight 547.6; category organic chemicals.
| CAS Number | 1589503-97-8 |
|---|---|
| Molecular Formula | C26H27F2N3O6S |
| Molecular Weight | 547.6 |
| LogP | 5.3 |
| Category | Organic Chemicals |
ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate is a carbon-based organic compound with CAS registry number 1589503-97-8 and molecular formula C26H27F2N3O6S (molecular weight 547.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1589503-97-8
Its molecular formula C26H27F2N3O6S comprises 26 C, 27 H, 2 F, 3 N, 6 O, 1 S atoms.
Also known as: ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate · 2-[(2 ,6-二氟苄基)乙氧基羰基氨基]-4-（(二甲基氨基）甲基）-5-(4-硝基苯基)噻吩-3-甲酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate is 1589503-97-8.
Molecular formula C26H27F2N3O6S, molecular weight 547.6.
It is also registered under: ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate, 2-[(2 ,6-二氟苄基)乙氧基羰基氨基]-4-（(二甲基氨基）甲基）-5-(4-硝基苯基)噻吩-3-甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate (CAS 1589503-97-8), compiled from public chemistry databases.
| CAS 号 | 1589503-97-8 |
|---|---|
| PubChem CID | 101889936 |
| 分子式 | C26H27F2N3O6S |
| IUPAC 名称 | ethyl 2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophene-3-carboxylate |
| UNII（FDA） | T54MDA5ZJY |
| Molecular Weight | 547.6 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 547.15886309 |
| Monoisotopic Mass | 547.15886309 |
| Topological Polar Surface Area | 133 |
| Heavy Atom Count | 38 |
1589503-97-8; RefChem:593515; 854-336-5; Chemtrue-RL-N5; Relugolix Impurity 33; MFCD34179895; Relugolix Impurity N4; T54MDA5ZJY; C26H27F2N3O6S; SCHEMBL16964278; BS-46403; SY288225; F71693; F867941; Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%), H351 (100%) |
|---|
2-[(2 ,6-二氟苄基)乙氧基羰基氨基]-4-（(二甲基氨基）甲基）-5-(4-硝基苯基)噻吩-3-甲酸乙酯 · CAS 1589503-97-8 · C26H27F2N3O6S. UNII T54MDA5ZJY.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[(2 ,6-二氟苄基)乙氧基羰基氨基]-4-（(二甲基氨基）甲基）-5-(4-硝基苯基)噻吩-3-甲酸乙酯