HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
SR171 · SR-717 · SR-717 lithium · SR171&SR-717 lithium · SR-717 Hydrochloride · SR-717, 10 mM in DMSO · SR 717 (lithium salt) · SR171(CAS:2375420-34-9)&SR-717 lithium
![Molekülstruktur von 4,5-Difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate](/img/chemical/155815744.png)
Identifikatoren & physikalische Daten
| CAS No. | 2375421-09-1 |
|---|---|
| Summenformel | C15H8F2N5O3- |
| Durchschnittliche Molmasse | 344,25 g/mol |
| Monoisotopische Masse | 344,05952046 g/mol |
| SMILES | O=C(Nc1cc(F)c(F)cc1C(=O)[O-])c1ccc(-n2ccnc2)nn1 |
| InChIKey | FTILLHFNTUUQIF-UHFFFAOYSA-N |
| PubChem CID | 155815744 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 113 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 25 |
| Formalladung | -1 |
| Komplexität | 506 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in DMSO (>25 mg/ml)Water: < 0.1 mg/mL (insoluble) |
| Aggregatzustand | solid |
| Farbe | Off-white |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month1. |
| InChI | InChI=1S/C15H9F2N5O3.Li.H/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25) |
| InChIKey | FTILLHFNTUUQIF-UHFFFAOYSA-N |
| SMILES | N(C1C=C(F)C(F)=CC=1C(=O)O)C(C1N=NC(N2C=NC=C2)=CC=1)=O.[LiH] |