HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzoic acid, 4-(4-methoxybenzoyl)-, methyl ester
METHYL 4-(4-METHOXYBENZOYL)BENZOATE · 4-(4-methoxybenzeneformyl)methyl benzoate · 4-(4-METHOXY-BENZOYL)-BENZOIC ACIDMETHYL ESTER · Benzoic acid, 4-(4-methoxybenzoyl)-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 71616-84-7 |
|---|---|
| Summenformel | C16H14O4 |
| Durchschnittliche Molmasse | 270,28 g/mol |
| Monoisotopische Masse | 270,08920893 g/mol |
| SMILES | COC(=O)c1ccc(C(=O)c2ccc(OC)cc2)cc1 |
| InChIKey | XISRQQMWSGOFJV-UHFFFAOYSA-N |
| PubChem CID | 257913 |
| DTXSID | DTXSID80292941 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 336 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in DMSO |
| Aggregatzustand | Solid |
| Farbe | Light Pink |
Anwendungen & Verwendung
Verwenden
NSC 86530 is an intermediate in the synthesis of 4-[4-(2-Propyn-1-yloxy)benzoyl]benzoic Acid (P838505), which is a benzophenone residue used for Protein Photolabeling. 4-[4-(2-Propyn-1-yloxy)benzoyl]benzoic Acid can also be used for the synthesis of new Thiodigalactoside-Based chemical probes to label galectin-3.