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719277-30-2

719277-30-2 structural image
Product Name: ProINDY
Formula: C14H15NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 277.34 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 277.07726451 g/mol
Monoisotopic Mass 277.07726451 g/mol
Topological Polar Surface Area 71.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 408
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

ProINDY is a member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and acetyloxy groups at positions 2, 3 and 5, respectively. It is the prodrug of INDY. It has a role as an antineoplastic agent and a prodrug. It is a member of benzothiazoles, an enone and an acetate ester. It is functionally related to an INDY.