3-hydroxy-acetaminophen is a metabolite of Acetaminophen.

Physicochemical Properties

Molecular Formula	C8H9NO3
Molecular Weight	167.16196
Exact Mass	167.058
CAS #	37519-14-5
PubChem CID	161950
Appearance	White to gray solid powder
Density	1.4g/cm3
Boiling Point	444.7ºC at 760 mmHg
Melting Point	170-172ºC
Flash Point	222.8ºC
Index of Refraction	1.664
LogP	1.129
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Complexity	172
Defined Atom Stereocenter Count	0
InChi Key	IPFBMHOMTSBTSU-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)
Chemical Name	N-(3,4-dihydroxyphenyl)acetamide
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

ADME/Pharmacokinetics

Metabolism / Metabolites 3-Hydroxyacetaminophen is a known human metabolite of acetaminophen.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~1495.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.33 mg/mL (13.94 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 23.3 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: ≥ 2.33 mg/mL (13.94 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 23.3 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: ≥ 2.33 mg/mL (13.94 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 23.3 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	5.9823 mL	29.9115 mL	59.8229 mL
	5 mM	1.1965 mL	5.9823 mL	11.9646 mL
	10 mM	0.5982 mL	2.9911 mL	5.9823 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.