1,3-Diphenylparabanic Acid - CAS 6488-59-1

Catalog:	BB032583
Product Name:	1,3-Diphenylparabanic Acid
CAS:	6488-59-1
Synonyms:	1,3-diphenylimidazolidine-2,4,5-trione; 1,3-diphenylimidazolidine-2,4,5-trione

Technical Data

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Computed Properties

IUPAC Name:	1,3-diphenylimidazolidine-2,4,5-trione
Description:	1,3-Diphenylparabanic Acid (CAS# 6488-59-1) is a useful research chemical compound.
Molecular Weight:	266.25
Molecular Formula:	C15H10N2O3
Canonical SMILES:	C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)C3=CC=CC=C3
InChI:	InChI=1S/C15H10N2O3/c18-13-14(19)17(12-9-5-2-6-10-12)15(20)16(13)11-7-3-1-4-8-11/h1-10H
InChI Key:	WVFNUIVPEBYSNN-UHFFFAOYSA-N
Boiling Point:	442.6 °C at 760 mmHg
Density:	1.41 g/cm³
MDL:	MFCD00020868
LogP:	2.31640

Publication Number	Title	Priority Date
CN-112679436-A	Continuous circulation industrial production method of 5-tert-butyl-5-hydroxy-1, 3-diphenyl-2, 4-imidazolidinedione	20201230
CN-111170846-A	Method for preparing 3, 3-dimethyl-2-oxo-butyric acid	20190220
US-2019134005-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20160610
WO-2017214505-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20160610
EP-2970158-A2	Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders	20130315

PMID	Publication Date	Title	Journal
22136154	20120106	Diphenylparabanic acid as a synthon for the synthesis of α-diketones and α-ketocarboxylic acids	The Journal of organic chemistry

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Complexity:	385
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.06914219
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.06914219
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6