Lapachol

Category	Influenza Virus
CAS	84-79-7
Description	a reagent used in the synthesis of B-Lapachones for use in anti-proliferative tumor studies.

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Synonyms	4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
IUPAC Name	4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
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
InChIKey	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
Application	anti-inflammatory; antibacterial; antifungal; anti-tumor;
Storage	4°C, stored under nitrogen * In solvent : -80°C 6 months -20°C 1 month (stored under nitrogen)
Complexity	439
Exact Mass	242.094294304
Index Of Refraction	1.606
PSA	54.37000
Target	Bacterial; Fungal; Influenza Virus; Parasite
Vapor Pressure	0.0±0.9 mmHg at 25°C
XLogP3-AA	2.8