disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate

• ChemBase ID: 103605
• Molecular Formular: C20H10N2Na2O4
• Molecular Mass: 388.28394
• Monoisotopic Mass: 388.04359537
• SMILES: [Na+].[Na+].[O-]C(=O)c1c2ccccc2nc(c1)c1cc(C(=O)[O-])c2ccccc2n1
• Canonical SMILES: [O-]C(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C20H12N2O4.2Na/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2
• InChIKey: AUPXFICLXPLHBB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate
• IUPAC Traditional name: dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate
• Synonyms: Sodium bicinchoninate; 4,4'-Dicarboxy-2,2'-biquinoline disodium salt; BCA; Disodium 2,2'-biquinoline-4,4'-dicarboxylate; 2,2'-Biquinoline-4,4'-dicarboxylic acid disodium salt; 2,2'-BICINCHONINIC ACID

Database IDs

• CAS Number: 979-88-4
• PubChem SID: 162090407
• PubChem CID: 164763

CALCULATED PROPERTIES

• Acid pKa: 3.2556043
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.14725791
• LogD (pH = 7.4): -2.6930695
• Log P: 4.022647
• Molar Refractivity: 114.4794 cm^3
• Polarizability: 39.02851 Å^3
• Polar Surface Area: 106.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02152414

Disodium Salt
Photometric reagent for protein assay.
Used for determination of reducing sugar and protein via Cu(I). Also a specific reagent for Cu(I) with sensitivity similar to that of neocuproin.

REFERENCES

• M.G. Redinbaugh, et al., Anal. Biochem., 153: 267, (1986).
• P.K. Smith, et al., Anal. Biochem., 150: 76, (1985).