CAS RN: 81186-33-6
E-MALEIMIDOCAPRONIC 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.20260621 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS81186-33-6
- Purity/Analytical Methods: >99.0%
81186-33-6 / 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
Basic Information
CAS
81186-33-6
Multi CAS
No
Molecular Formula
C10H15N3O3
Molecular Weight
225.240000
Exact Mass
225.111341
InChI
InChI=1S/C10H15N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6H,1-4,7,11H2,(H,12,14)
InChIKey
FYWVFGAAKATOHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.66
TPSA
92.5
LogP / Solubility
WLOGP
-0.54
MLOGP
-0.47
XLogP3
0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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