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Naphthol AS-BI phosphate

CAT: 0013-GTR19246656-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246656-01Size:100 mg
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Description
Naphthol AS-BI phosphate serves as both an acidic and alkaline phosphatase substrate, suitable for use in fluorescence assays. It is also utilized as a biomaterial or organic compound relevant to life science research.
CAS Number
1919-91-1
Smiles
O=C (C1=C (OP (O) (O) =O) C=C2C=CC (Br) =CC2=C1) NC3=C (OC) C=CC=C3
Molecular Formula
C18H15BrNO6P
Molecular Weight
452.193
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide

RN given refers to parent cpd

CAS Number1919-91-1
PubChem CID74715
IUPAC Name[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Molecular FormulaC18H15BrNO6P
Molecular Weight452.2
XLogP3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity572
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O
InChI
InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
InChIKey
HUXIAXQSTATULQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide
CAS: 1919-91-1
CID: 74715
Formula: C18H15BrNO6P
MW: 452.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.2
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass450.98204
Monoisotopic Mass450.98204
Topological Polar Surface Area105 Ų
Heavy Atom Count27
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FN15225-01Naphthol AS-BI-phosphate
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