HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 985658Erstellt: 4. November 2026
B-Raf IN 14
WAY-310819 · B-Raf IN 14 · 2-((7-(3-Bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide · 2-{[7-(3-BROMOBENZYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETAMIDE · Acetamide, 2-[[7-[(3-bromophenyl)methyl]-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-8-yl]thio]-
https://huagongshe.com/de/chemical/985658
Identifikatoren & physikalische Daten
| CAS No. | 326918-98-3 |
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| Summenformel | C15H14BrN5O3S |
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| Durchschnittliche Molmasse | 424,3 g/mol |
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| Monoisotopische Masse | 423,00007 g/mol |
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| SMILES | Cn1c(=O)[nH]c(=O)c2c1nc(SCC(N)=O)n2Cc1cccc(Br)c1 |
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| InChIKey | HKKJJBUQMXEHOW-UHFFFAOYSA-N |
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| PubChem CID | 985658 |
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| ChEMBL | CHEMBL517286 |
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| EC No. | 167-947-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 136 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 565 |
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| Dichte | 1.81±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 9.35±0.70(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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