| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4,4'-Bibenzoic acid does not have a defined pharmacological target. It is a dicarboxylic acid used as a building block in the synthesis of polymers, metal-organic frameworks (MOFs), and other materials. Its mechanism of action is chemical: the two carboxylic acid groups can form ester or amide bonds, enabling the construction of polymeric structures.
|
|---|---|
| ln Vitro |
In vitro, 4,4'-bibenzoic acid is used as a building block in the synthesis of polymers and metal-organic frameworks (MOFs). As a rigid, aromatic dicarboxylic acid, it is a valuable component for the construction of porous materials and coordination polymers. It is also used as a biochemical reagent for life science research.
|
| ln Vivo |
In vivo activity data for 4,4'-bibenzoic acid are not available, as the compound is a chemical intermediate used for materials science applications. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
|
| Enzyme Assay |
For in vitro chemical synthesis, 4,4'-bibenzoic acid is used as a building block for the preparation of polymers and MOFs. Standard protocols involve reacting the dicarboxylic acid with metal salts (for MOFs) or with diols or diamines (for polymers) under appropriate conditions to form the desired materials.
|
| Cell Assay |
For in vitro cell-based experiments, 4,4'-bibenzoic acid is not typically used directly in cell culture. It is a chemical intermediate used for the synthesis of materials that may be subsequently tested in biological applications.
|
| Animal Protocol |
In vivo animal studies for 4,4'-bibenzoic acid are not applicable, as the compound is a chemical intermediate used for materials science. No animal studies have been conducted for this compound as a therapeutic agent.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 4,4'-bibenzoic acid are not available, as the compound is not a drug and is not administered to living organisms. The compound is a solid with a high melting point and low solubility in water.
|
| Toxicity/Toxicokinetics |
4,4'-Bibenzoic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a carboxylic acid, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
|
| Additional Infomation |
Structure in the first source
See also: Sandalwood extract (note moved to); Sandalwood extract (note moved to); Sandalwood essential oil (note moved to). 4,4'-Bibenzoic acid (Biphenyl-4,4'-dicarboxylic acid) (CAS 787-70-2) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of polymers, metal-organic frameworks (MOFs), and other materials. |
| Molecular Formula |
C14H10O4
|
|---|---|
| Molecular Weight |
242.23
|
| Exact Mass |
242.057
|
| CAS # |
787-70-2
|
| PubChem CID |
13084
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
482.5±38.0 °C at 760 mmHg
|
| Melting Point |
>300 °C(lit.)
|
| Flash Point |
259.7±23.3 °C
|
| Vapour Pressure |
0.0±1.3 mmHg at 25°C
|
| Index of Refraction |
1.639
|
| LogP |
3.52
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
18
|
| Complexity |
278
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1C=CC(C2C=CC(C(O)=O)=CC=2)=CC=1)O
|
| InChi Key |
NEQFBGHQPUXOFH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
|
| Chemical Name |
4-(4-carboxyphenyl)benzoic 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)
|
| Solubility (In Vitro) |
DMSO: ~6.7 mg/mL (~27.5 mM; with ultrasonication and warming by heating to 60°C)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.67 mg/mL (2.77 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 DMSO stock solution (6.7 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1283 mL | 20.6415 mL | 41.2831 mL | |
| 5 mM | 0.8257 mL | 4.1283 mL | 8.2566 mL | |
| 10 mM | 0.4128 mL | 2.0642 mL | 4.1283 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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