CAS RN: 15519-86-5
MALEIC ACID MONO ETHANOLAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15519-86-5
- Purity/Analytical Methods: >99.0%
15519-86-5 / (Z)-4-(2-hydroxyethylamino)-4-oxobut-2-enoic acid
Basic Information
CAS
15519-86-5
Multi CAS
No
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
SMILES
C(CO)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C6H9NO4/c8-4-3-7-5(9)1-2-6(10)11/h1-2,8H,3-4H2,(H,7,9)(H,10,11)/b2-1-
InChIKey
YWZDWRATWVGEFU-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.87
TPSA
86.63
LogP / Solubility
WLOGP
-1.26
MLOGP
-1.12
XLogP3
-1.4
Consensus LogP
-1.26
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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