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CAS 359436-60-5 E-MALEIMIDOPROPIONIC ACID HYDRAZIDE molecular structure lightbox
CAS RN: 359436-60-5

E-MALEIMIDOPROPIONIC ACID HYDRAZIDE

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Batchno.20260430 100mg Out of stock Inquiry
  • Product code: starshine_CAS359436-60-5
  • Purity/Analytical Methods: >99.0%
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359436-60-5 / 3-(2,5-dioxopyrrol-1-yl)propanehydrazide

Standard CAS: 359436-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
359436-60-5
Multi CAS
No
Molecular Formula
C7H9N3O3
Molecular Weight
183.160000
Exact Mass
183.064391
InChI
InChI=1S/C7H9N3O3/c8-9-5(11)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)
InChIKey
PATQAHLJQRPGRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.81
TPSA
92.5

LogP / Solubility

WLOGP
-1.71
MLOGP
-1.51
XLogP3
-1
Consensus LogP
-1.41
Log S (ESOL)
0.3
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-5.05

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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