4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid (CAS 85828-79-1) — formula C16H18N4O5S, molecular weight 378.4; category organic chemicals.
| CAS Number | 85828-79-1 |
|---|---|
| Molecular Formula | C16H18N4O5S |
| Molecular Weight | 378.4 |
| LogP | -0.4 |
| Category | Organic Chemicals |
4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid is a carbon-based organic compound with CAS registry number 85828-79-1 and molecular formula C16H18N4O5S (molecular weight 378.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85828-79-1
Its molecular formula C16H18N4O5S comprises 16 C, 18 H, 4 N, 5 O, 1 S atoms.
Also known as: 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid · 4-[[4-[[(4,6-二甲基-2-嘧啶基)氨基]磺酰基]苯基]氨基]-4-氧代丁酸
Category: organic chemicals
The CAS registry number of 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid is 85828-79-1.
Molecular formula C16H18N4O5S, molecular weight 378.4.
It is also registered under: 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid, 4-[[4-[[(4,6-二甲基-2-嘧啶基)氨基]磺酰基]苯基]氨基]-4-氧代丁酸.
Category: Organic Chemicals.
Independent reference data for 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid (CAS 85828-79-1), compiled from public chemistry databases.
| CAS 号 | 85828-79-1 |
|---|---|
| PubChem CID | 1105728 |
| 分子式 | C16H18N4O5S |
| IUPAC 名称 | 4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoic acid |
| UNII（FDA） | HMS2793J18 |
| Molecular Weight | 378.4 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 378.09979086 |
| Monoisotopic Mass | 378.09979086 |
| Topological Polar Surface Area | 147 |
| Heavy Atom Count | 26 |
85828-79-1; 4-((4-(N-(4,6-Dimethylpyrimidin-2-yl)sulfamoyl)phenyl)amino)-4-oxobutanoic acid; 4-((4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxobutyric acid; EINECS 288-606-3; Oprea1_164108; Oprea1_195587; MLS001076049; CHEMBL1902659; DTXSID90235107; IBPVENLZDNUDHD-UHFFFAOYSA-N; HMS2793J18; STL299924; AKOS000601888; CCG-233295; SMR000473132; NS00039069
4-[[4-[[(4,6-二甲基-2-嘧啶基)氨基]磺酰基]苯基]氨基]-4-氧代丁酸 · CAS 85828-79-1 · C16H18N4O5S. UNII HMS2793J18.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.