General
Preferred name
DIETHYL MALEATE
Synonyms
Diethylmaleate ()
Diethyl ester, Maleic acid diethyl ester ()
P&D ID
PD088336
CAS
141-05-9
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Diethylmaleate, a glutathione-depleting compound, is the diethyl ester of maleic acid and inhibits NF-kB. It is used as a reagent in the synthesis of several organic compounds including that of polyaspartic acid ester based polyurea coatings. (BOC Sciences Bioactive Compounds)
Compound Sets
2
BOC Sciences Bioactive Compounds
diethyl-maleate-cas-141-05-9-58455
Selleckchem Bioactive Compound Library
diethylmaleate
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
172.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
0.67
TPSA
52.6
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
NF-¦ÊB,Nrf2
Source data