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3-Furanoic acid 488-93-7

3-Furanoic acid 488-93-7

CAS No.: 488-93-7

3-Furanoic acid is an endogenously produced metabolite.
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3-Furanoic acid is an endogenously produced metabolite.

Physicochemical Properties


Molecular Formula C5H4O3
Molecular Weight 112.08
Exact Mass 112.016
CAS # 488-93-7
PubChem CID 10268
Appearance Off-white to light yellow solid powder
Density 1.3±0.1 g/cm3
Boiling Point 229.6±13.0 °C at 760 mmHg
Melting Point 120-122 °C(lit.)
Flash Point 92.7±19.8 °C
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.513
LogP 1.03
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Heavy Atom Count 8
Complexity 99.8
Defined Atom Stereocenter Count 0
InChi Key IHCCAYCGZOLTEU-UHFFFAOYSA-N
InChi Code

InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
Chemical Name

furan-3-carboxylic acid
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


Additional Infomation 3-furoic acid is a furoic acid carrying the carboxy group at position 3. It has a role as a human metabolite. It is a conjugate acid of a 3-furoate.
3-Furoic acid has been reported in Penicillium herquei, Peristeria elata, and other organisms with data available.

Solubility Data


Solubility (In Vitro) DMSO: 50 mg/mL (446.11 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (22.31 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 (22.31 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 8.9222 mL 44.6110 mL 89.2220 mL
5 mM 1.7844 mL 8.9222 mL 17.8444 mL
10 mM 0.8922 mL 4.4611 mL 8.9222 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.