disodium 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate

• ChemBase ID: 130862
• Molecular Formular: C19H16NNa2O5P
• Molecular Mass: 415.287341
• Monoisotopic Mass: 415.05614781
• SMILES: Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-].[Na+].[Na+]
• Canonical SMILES: Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C19H18NO5P.2Na/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24;;/h3-11H,1-2H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2
• InChIKey: IHRJBGLDOBEMPR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate
• IUPAC Traditional name: disodium 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate
• Synonyms: Naphthol AS-MX phosphate disodium salt

Database IDs

• CAS Number: 96189-12-7
• MDL Number: MFCD00069549
• PubChem SID: 162225140; 24897717
• PubChem CID: 18531110

CALCULATED PROPERTIES

• Acid pKa: 1.7435989
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7395818
• LogD (pH = 7.4): 0.98842096
• Log P: 4.1240196
• Molar Refractivity: 98.7345 cm^3
• Polarizability: 38.582943 Å^3
• Polar Surface Area: 101.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥99% (HPLC)

DETAILS

Sigma Aldrich - N5000

Substrates
Substrate for the histochemical demonstration of acid and alkaline phosphatase.
Application
Naphthol AS-MX phosphate is a phosphatase substrate used in the histochemical azo-dye method of phosphatase detection.1 Naphthol AS-MX and Fast Blue BB were used for alkaline phosphatase (AP) activity in conjunction with horseradish peroxidase (POD) and 3-amino-9-ethylcarbazole in chromogenic immunohistochemical double staining techniques.2