CAS RN: 181148-01-6
4-MALEIMIDOBUTYRIC ACID HYDRAZIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260601 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS181148-01-6
- Purity/Analytical Methods: >99.0%
181148-01-6 / 4-(2,5-dioxopyrrol-1-yl)butanehydrazide
Basic Information
CAS
181148-01-6
Multi CAS
No
Molecular Formula
C8H11N3O3
Molecular Weight
197.190000
Exact Mass
197.080041
SMILES
C1=CC(=O)N(C1=O)CCCC(=O)NN
InChI
InChI=1S/C8H11N3O3/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14/h3-4H,1-2,5,9H2,(H,10,12)
InChIKey
BMFQKRITGGSIAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.42
TPSA
92.5
LogP / Solubility
WLOGP
-1.32
MLOGP
-1.16
XLogP3
-0.6
Consensus LogP
-1.03
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
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)
-4.86
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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