disodium 3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl phosphate

• ChemBase ID: 132579
• Molecular Formular: C18H13ClNNa2O5P
• Molecular Mass: 435.705821
• Monoisotopic Mass: 435.00152539
• SMILES: Cc1cc(ccc1NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-])Cl.[Na+].[Na+]
• Canonical SMILES: Clc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C18H15ClNO5P.2Na/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24;;/h2-10H,1H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2
• InChIKey: TYCHZTPSWMGRRI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl phosphate
• IUPAC Traditional name: disodium 3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl phosphate
• Synonyms: Naphthol AS-TR phosphate disodium salt

Database IDs

• CAS Number: 4264-93-1
• MDL Number: MFCD00069550
• PubChem SID: 24897683; 162226856; 24897766
• PubChem CID: 16219747

CALCULATED PROPERTIES

• Acid pKa: 1.7435989
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8302045
• LogD (pH = 7.4): 1.0790049
• Log P: 4.214643
• Molar Refractivity: 98.4981 cm^3
• Polarizability: 38.7134 Å^3
• Polar Surface Area: 101.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: tablet

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)
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - N6125

Application
Substrate for the histochemical demonstration of acid and alkaline phosphatase.

Sigma Aldrich - N8518

Application
Substrate for the histochemical demonstration of acid and alkaline phosphatase.
Specificity
Naphthol AS-TR Phosphate is a substrate for use with alkaline phosphatase in immunoblotting and immunohistological staining procedures. When Naphthol AS-TR Phosphate is used in conjunction with Fast Red RC Tablets (Sigma Product No. F 5146) an insoluble end product is produced that is red in color and can be observed visually. Naphthol AS-TR Phosphate Tablets may also be used with other coupling salts in other applications.