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58338-59-3

58338-59-3 structural image
Product Name: Dinalin
Formula: C13H13N3O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >34.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 227.26 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 227.105862047 g/mol
Monoisotopic Mass 227.105862047 g/mol
Topological Polar Surface Area 81.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 261
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Acetyldinaline is under investigation in clinical trial NCT00005624 (CI-994 in Treating Patients With Advanced Myeloma).