4-Phenyl-7,8-dihydroxycoumarin is a coumarin analogue used in bronchiectasis research.

Physicochemical Properties

Molecular Formula	C15H10O4
Molecular Weight	254.24
Exact Mass	254.057
CAS #	842-01-3
PubChem CID	5413034
Appearance	Off-white to yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	495.1±45.0 °C at 760 mmHg
Melting Point	190-195ºC(lit.)
Flash Point	193.8±22.2 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.699
LogP	3.56
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Complexity	384
Defined Atom Stereocenter Count	0
SMILES	O=C1C=C(C2C=CC=CC=2)C2C(=C(C(=CC=2)O)O)O1
InChi Key	JRVIIPJSVKTPBK-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
Chemical Name	7,8-dihydroxy-4-phenylchromen-2-one
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. A kind of Chinese medicine and western medicine combination for treating bronchiectasiss and preparation method thereof. Patent CN106491853
Additional Infomation	7,8-dihydroxy-4-phenyl-2H-chromen-2-one has been reported in Mesua ferrea with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (393.33 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.83 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.83 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (9.83 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9333 mL	19.6665 mL	39.3329 mL
	5 mM	0.7867 mL	3.9333 mL	7.8666 mL
	10 mM	0.3933 mL	1.9666 mL	3.9333 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.