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Home > Encyclopedia > 3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester

3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester

3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester structure

3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester 

structure
  • CAS No:

    120385-96-8

  • Formula:

    C26H26ClNO4S2

  • Chemical Name:

    3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester

  • Synonyms:

    3,3"-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1"-Dimethyl Ester;(E)-dimethyl 3,3"-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)methylene)bis(sulfanediyl)dipropanoate;SCHEMBL9260443;ZINC34110271;3,3"-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]benzylidenebis(thio)]bis(propionic acid methyl) ester;Methyl 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate

Description

Light Yellow Solid

3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester Basic Attributes

516.07194

515.099

Characteristics

116

6

3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester Use and Manufacturing

Intermediate in the preparation of MK-571.

Computed Properties

Molecular Weight:516.1
XLogP3:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:515.0991784
Monoisotopic Mass:515.0991784
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:657
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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