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| IUPAC Name: | 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione |
| Description: | a reagent used in the synthesis of B-Lapachones for use in anti-proliferative tumor studies. |
| Molecular Weight: | 242.27 |
| Molecular Formula: | C15H14O3 |
| Canonical SMILES: | CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
| InChI: | InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,16H,8H2,1-2H3 |
| InChI Key: | CWPGNVFCJOPXFB-UHFFFAOYSA-N |
| Boiling Point: | 398.6 °C at 760 mmHg |
| Melting Point: | 137-140 °C |
| Flash Point: | 203.9±24.4 °C |
| Purity: | > 95 % |
| Density: | 1.235 g/cm3 |
| Solubility: | In Vitro: DMSO : ≥ 100 mg/mL(412.76 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (10.32 mM); Clear solution |
| Appearance: | Yellow solid |
| Storage: | 4°C, stored under nitrogen * In solvent : -80°C 6 months -20°C 1 month (stored under nitrogen) |
| LogP: | 3.23400 |
| Quality Standard: | Enterprise Standard |
| Vapor Pressure: | 0.0±0.9 mmHg at 25°C |
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Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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