CAS RN: 4814-74-8

N-Hydroxymaleimide

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Batchno.20251009 250mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS4814-74-8
  • Purity/Analytical Methods: >99.0%
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4814-74-8 / 1-hydroxypyrrole-2,5-dione

Standard CAS: 4814-74-8 Multi CAS: Yes

Basic Information

CAS
4814-74-8
Multi CAS
Yes
Molecular Formula
C4H3NO3
Molecular Weight
113.070000
Exact Mass
113.011293
InChI
InChI=1S/C4H3NO3/c6-3-1-2-4(7)5(3)8/h1-2,8H
InChIKey
BUXKULRFRATXSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
22.78
TPSA
57.61

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.63
XLogP3
-1
Consensus LogP
-0.78
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

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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