4-Biphenylyl Sulfate Potassium Salt - CAS 16063-84-6

Catalog:	BB073331
Product Name:	4-Biphenylyl Sulfate Potassium Salt
CAS:	16063-84-6
Synonyms:	4-Biphenylol Hydrogen Sulfate Potassium Salt; [1,1'-Biphenyl]-4-ol Hydrogen Sulfate, Potassium Salt; Potassium 4-Hydroxybiphenyl-O-sulfate; Potassium Biphenyl-4-sulfate

Technical Data

IUPAC Name:	potassium(4-phenylphenyl) sulfate
Description:	4-Biphenylyl Sulfate Potassium Salt is a derivative of 4-Phenylphenol (P336135). 4-Phenylphenol is a reagent used in the synthesis of pyrrolo[1,2-c]imidazole dione derivatives as selective serotonin 5-HT1A receptor agonists with antinociceptive activity.
Molecular Weight:	288.36
Molecular Formula:	C12H9KO4S
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)[O-].[K+]
InChI:	InChI=1S/C12H10O4S.K/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/q+1/p-1
InChI Key:	PULZWJPOJVBDEU-UHFFFAOYSA-M
Melting Point:	>300°C
Solubility:	DMSO (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Valhondo, M., et al. J. Med. Chem., 56, 7851 (2013); Nichols, D., et al. Chem. Rev., 108, 1614 (2008).

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.98586142
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	287.98586142
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0